Mdapy: molecular dynamics simulation analysis in Python

Navigation

Verified details

These details have been verified by PyPI
Project links
GitHub Statistics
Maintainers
Avatar for HerrWu from gravatar.com HerrWu

Unverified details

These details have not been verified by PyPI
Meta
Classifiers
Report project as malware

Project description

mdapy : Molecular Dynamics Analysis with Python

Overview

The mdapy provides a comprehensive suite of powerful, flexible, and straightforward tools for analyzing atomic trajectories generated from Molecular Dynamics (MD) simulations.

Resources

Project details

Verified details

These details have been verified by PyPI
Project links
GitHub Statistics
Maintainers
Avatar for HerrWu from gravatar.com HerrWu

Unverified details

These details have not been verified by PyPI
Meta
Classifiers

Release history Release notifications | RSS feed

1.0.7

1.0.6

1.0.6a2 pre-release

1.0.6a1 pre-release

1.0.5

1.0.5a1 pre-release

1.0.4

1.0.4a1 pre-release

1.0.3

1.0.2

1.0.1

1.0.1a1 pre-release

This version

1.0.0

1.0.0a3 pre-release

1.0.0a2 pre-release

1.0.0a1 pre-release

0.11.5

0.11.4

0.11.3

0.11.2

0.11.1

0.11.0

0.10.9

0.10.8

0.10.7

0.10.6

0.10.5

0.10.4

0.10.3

0.10.2

0.10.1

0.10.0

0.9.9

0.9.8

0.9.7

0.9.6

0.9.5

0.9.4

0.9.3

0.9.2

0.9.1

0.9.0

0.8.9

0.8.8

0.8.7

0.8.6

0.8.5

0.8.4

0.8.3

0.8.2

0.8.1

0.8.0

0.7.9

0.7.8

0.7.7

0.7.6

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

mdapy-1.0.0.tar.gz (4.2 MB view details)

Uploaded Source

Built Distributions

If you're not sure about the file name format, learn more about wheel file names.

mdapy-1.0.0-cp312-abi3-win_amd64.whl (2.2 MB view details)

Uploaded CPython 3.12+Windows x86-64

mdapy-1.0.0-cp312-abi3-win32.whl (2.0 MB view details)

Uploaded CPython 3.12+Windows x86

mdapy-1.0.0-cp312-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (2.3 MB view details)

Uploaded CPython 3.12+manylinux: glibc 2.17+ x86-64

mdapy-1.0.0-cp312-abi3-macosx_14_0_arm64.whl (1.6 MB view details)

Uploaded CPython 3.12+macOS 14.0+ ARM64

mdapy-1.0.0-cp311-cp311-win_amd64.whl (2.2 MB view details)

Uploaded CPython 3.11Windows x86-64

mdapy-1.0.0-cp311-cp311-win32.whl (2.0 MB view details)

Uploaded CPython 3.11Windows x86

mdapy-1.0.0-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (2.3 MB view details)

Uploaded CPython 3.11manylinux: glibc 2.17+ x86-64

mdapy-1.0.0-cp311-cp311-macosx_14_0_arm64.whl (1.6 MB view details)

Uploaded CPython 3.11macOS 14.0+ ARM64

mdapy-1.0.0-cp310-cp310-win_amd64.whl (2.2 MB view details)

Uploaded CPython 3.10Windows x86-64

mdapy-1.0.0-cp310-cp310-win32.whl (2.0 MB view details)

Uploaded CPython 3.10Windows x86

mdapy-1.0.0-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (2.3 MB view details)

Uploaded CPython 3.10manylinux: glibc 2.17+ x86-64

mdapy-1.0.0-cp310-cp310-macosx_14_0_arm64.whl (1.6 MB view details)

Uploaded CPython 3.10macOS 14.0+ ARM64

mdapy-1.0.0-cp39-cp39-win_amd64.whl (2.2 MB view details)

Uploaded CPython 3.9Windows x86-64

mdapy-1.0.0-cp39-cp39-win32.whl (2.1 MB view details)

Uploaded CPython 3.9Windows x86

mdapy-1.0.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (2.3 MB view details)

Uploaded CPython 3.9manylinux: glibc 2.17+ x86-64

mdapy-1.0.0-cp39-cp39-macosx_14_0_arm64.whl (1.6 MB view details)

Uploaded CPython 3.9macOS 14.0+ ARM64

File details

Details for the file mdapy-1.0.0.tar.gz.

File metadata

  • Download URL: mdapy-1.0.0.tar.gz
  • Upload date:
  • Size: 4.2 MB
  • Tags: Source
  • Uploaded using Trusted Publishing? Yes
  • Uploaded via: twine/6.1.0 CPython/3.13.7

File hashes

Hashes for mdapy-1.0.0.tar.gz
Algorithm Hash digest
SHA256 4e134dddfcf03cbb0a681b5550619acab2e5fc551d66b458c60642f842f03f28
MD5 d073f3814ab516ab1fd07eecd8123b93
BLAKE2b-256 bf7137089f411b1e7b03a285e8b566361737f3f9b40a889e416c70af8ec7a767

See more details on using hashes here.

Provenance

The following attestation bundles were made for mdapy-1.0.0.tar.gz:

Publisher: publish.yml on mushroomfire/mdapy

Attestations: Values shown here reflect the state when the release was signed and may no longer be current.

File details

Details for the file mdapy-1.0.0-cp312-abi3-win_amd64.whl.

File metadata

  • Download URL: mdapy-1.0.0-cp312-abi3-win_amd64.whl
  • Upload date:
  • Size: 2.2 MB
  • Tags: CPython 3.12+, Windows x86-64
  • Uploaded using Trusted Publishing? Yes
  • Uploaded via: twine/6.1.0 CPython/3.13.7

File hashes

Hashes for mdapy-1.0.0-cp312-abi3-win_amd64.whl
Algorithm Hash digest
SHA256 c7822ea8f9195b86b761e239bb56eb9683f7797d84bbeb98f370dde20fcbd521
MD5 94d7c12929829a04428a63ceeda61e8c
BLAKE2b-256 e9257fdd2a6a53c9beac37ec380bd2f0cf82b29db6ac928f9fc23651ded0b55d

See more details on using hashes here.

Provenance

The following attestation bundles were made for mdapy-1.0.0-cp312-abi3-win_amd64.whl:

Publisher: publish.yml on mushroomfire/mdapy

Attestations: Values shown here reflect the state when the release was signed and may no longer be current.

File details

Details for the file mdapy-1.0.0-cp312-abi3-win32.whl.

File metadata

  • Download URL: mdapy-1.0.0-cp312-abi3-win32.whl
  • Upload date:
  • Size: 2.0 MB
  • Tags: CPython 3.12+, Windows x86
  • Uploaded using Trusted Publishing? Yes
  • Uploaded via: twine/6.1.0 CPython/3.13.7

File hashes

Hashes for mdapy-1.0.0-cp312-abi3-win32.whl
Algorithm Hash digest
SHA256 f860f32ad3cb09b6885d1f52d1133e5dfd04c0d9c6521de32997e588b648bf4f
MD5 7553a071dc21f92540a2c89f31a2be4a
BLAKE2b-256 ea699dc43172304266a5cb784e2cae2fe9b7378c7f08bff229cd8a4924594cb4

See more details on using hashes here.

Provenance

The following attestation bundles were made for mdapy-1.0.0-cp312-abi3-win32.whl:

Publisher: publish.yml on mushroomfire/mdapy

Attestations: Values shown here reflect the state when the release was signed and may no longer be current.

File details

Details for the file mdapy-1.0.0-cp312-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.

File metadata

File hashes

Hashes for mdapy-1.0.0-cp312-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm Hash digest
SHA256 882adbbd6b358d4a0650dfd82f46aedbd22b5611b42b9f546dbe2cf524714ad1
MD5 b7d7771d66b0862cde2f68fa1524ccb6
BLAKE2b-256 e1f0bcfbac7e4a75898de0b3a0f4e9c0a44b7e24c259efa2746ac0cbe1e52cb4

See more details on using hashes here.

Provenance

The following attestation bundles were made for mdapy-1.0.0-cp312-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl:

Publisher: publish.yml on mushroomfire/mdapy

Attestations: Values shown here reflect the state when the release was signed and may no longer be current.

File details

Details for the file mdapy-1.0.0-cp312-abi3-macosx_14_0_arm64.whl.

File metadata

File hashes

Hashes for mdapy-1.0.0-cp312-abi3-macosx_14_0_arm64.whl
Algorithm Hash digest
SHA256 fdde187a9e3b9a1bf383052cf6b537f172b2d0b723d4af00cfd037920e2c422f
MD5 87a9e382d9a6ecedd16148f16d9e9244
BLAKE2b-256 ac8b0ae220e3d72df69dcd050e2303141b44114410b8e9c15269863565bb161c

See more details on using hashes here.

Provenance

The following attestation bundles were made for mdapy-1.0.0-cp312-abi3-macosx_14_0_arm64.whl:

Publisher: publish.yml on mushroomfire/mdapy

Attestations: Values shown here reflect the state when the release was signed and may no longer be current.

File details

Details for the file mdapy-1.0.0-cp311-cp311-win_amd64.whl.

File metadata

  • Download URL: mdapy-1.0.0-cp311-cp311-win_amd64.whl
  • Upload date:
  • Size: 2.2 MB
  • Tags: CPython 3.11, Windows x86-64
  • Uploaded using Trusted Publishing? Yes
  • Uploaded via: twine/6.1.0 CPython/3.13.7

File hashes

Hashes for mdapy-1.0.0-cp311-cp311-win_amd64.whl
Algorithm Hash digest
SHA256 f756caa2b1cdc5f23deb10c107e439ae0d0ed1e7d17e4293b5385a268b0106a2
MD5 bb033829de141be085fa5f042b491911
BLAKE2b-256 96e46daf5af8be45e05434a8f6383936b27cd7ef9e725f06720950f9da9b5f66

See more details on using hashes here.

Provenance

The following attestation bundles were made for mdapy-1.0.0-cp311-cp311-win_amd64.whl:

Publisher: publish.yml on mushroomfire/mdapy

Attestations: Values shown here reflect the state when the release was signed and may no longer be current.

File details

Details for the file mdapy-1.0.0-cp311-cp311-win32.whl.

File metadata

  • Download URL: mdapy-1.0.0-cp311-cp311-win32.whl
  • Upload date:
  • Size: 2.0 MB
  • Tags: CPython 3.11, Windows x86
  • Uploaded using Trusted Publishing? Yes
  • Uploaded via: twine/6.1.0 CPython/3.13.7

File hashes

Hashes for mdapy-1.0.0-cp311-cp311-win32.whl
Algorithm Hash digest
SHA256 7335f8a91425266c55c33534d09be4241ec9cb6a861ee1e041923f6d30e3bc2e
MD5 ae925aec342306e4a2724217405be7e8
BLAKE2b-256 57889d367fcd8724fe9ce5fd9f007297996765e19fcbc8aa4962a1b5ff914efe

See more details on using hashes here.

Provenance

The following attestation bundles were made for mdapy-1.0.0-cp311-cp311-win32.whl:

Publisher: publish.yml on mushroomfire/mdapy

Attestations: Values shown here reflect the state when the release was signed and may no longer be current.

File details

Details for the file mdapy-1.0.0-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.

File metadata

File hashes

Hashes for mdapy-1.0.0-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm Hash digest
SHA256 ac4c02ef10a805a35365445f47ec2a84a9204587a76cf9708875739025f21e08
MD5 c6c2dff177542b8b9405f45e1fc6643b
BLAKE2b-256 8276b75452eea19b602b3519ce91a6fb5f14d7bfd987062493f19879f0201a2b

See more details on using hashes here.

Provenance

The following attestation bundles were made for mdapy-1.0.0-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl:

Publisher: publish.yml on mushroomfire/mdapy

Attestations: Values shown here reflect the state when the release was signed and may no longer be current.

File details

Details for the file mdapy-1.0.0-cp311-cp311-macosx_14_0_arm64.whl.

File metadata

File hashes

Hashes for mdapy-1.0.0-cp311-cp311-macosx_14_0_arm64.whl
Algorithm Hash digest
SHA256 f9117022428ef738db59410be15fcccd1c8a0078275046e96370148dad56cef5
MD5 9c8f473995e366c8787d4b6e03cc1dfd
BLAKE2b-256 d60b2698f28dada81b11af56a289c083d19f8a2ae0a228c0d590a82d64dcf5e8

See more details on using hashes here.

Provenance

The following attestation bundles were made for mdapy-1.0.0-cp311-cp311-macosx_14_0_arm64.whl:

Publisher: publish.yml on mushroomfire/mdapy

Attestations: Values shown here reflect the state when the release was signed and may no longer be current.

File details

Details for the file mdapy-1.0.0-cp310-cp310-win_amd64.whl.

File metadata

  • Download URL: mdapy-1.0.0-cp310-cp310-win_amd64.whl
  • Upload date:
  • Size: 2.2 MB
  • Tags: CPython 3.10, Windows x86-64
  • Uploaded using Trusted Publishing? Yes
  • Uploaded via: twine/6.1.0 CPython/3.13.7

File hashes

Hashes for mdapy-1.0.0-cp310-cp310-win_amd64.whl
Algorithm Hash digest
SHA256 010ab2cb81e099cce06d5bda654f9cbf70fec93c2b2db851635ab983bd73acc8
MD5 df6df89f5b14192f0e1e2bf0016a8e1e
BLAKE2b-256 05271100e3512f99fa8f79bc02d275693e9593b2da6a82355dd659f48afbf206

See more details on using hashes here.

Provenance

The following attestation bundles were made for mdapy-1.0.0-cp310-cp310-win_amd64.whl:

Publisher: publish.yml on mushroomfire/mdapy

Attestations: Values shown here reflect the state when the release was signed and may no longer be current.

File details

Details for the file mdapy-1.0.0-cp310-cp310-win32.whl.

File metadata

  • Download URL: mdapy-1.0.0-cp310-cp310-win32.whl
  • Upload date:
  • Size: 2.0 MB
  • Tags: CPython 3.10, Windows x86
  • Uploaded using Trusted Publishing? Yes
  • Uploaded via: twine/6.1.0 CPython/3.13.7

File hashes

Hashes for mdapy-1.0.0-cp310-cp310-win32.whl
Algorithm Hash digest
SHA256 7cd7703ecd40231c82a52e1bdaa81a7bcc6e15342b9c41795dbbd1fcbc30f566
MD5 cdebec804bb147a079fd1e2dacad688c
BLAKE2b-256 827a68a986162086eab1df6d66fd2d07d1b5e14327b00ba645eb3f8ff7b1ad3e

See more details on using hashes here.

Provenance

The following attestation bundles were made for mdapy-1.0.0-cp310-cp310-win32.whl:

Publisher: publish.yml on mushroomfire/mdapy

Attestations: Values shown here reflect the state when the release was signed and may no longer be current.

File details

Details for the file mdapy-1.0.0-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.

File metadata

File hashes

Hashes for mdapy-1.0.0-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm Hash digest
SHA256 3cfc69b8db2665d936dccdb8ab27a62aa91304c76ecb903d04fd48e4d00fdff9
MD5 cf41060aeba27753f916bb3d75907081
BLAKE2b-256 d559a2819b7edff7a132d7a8e3a807fa2049823f24025f1da53ec04ba5fe7015

See more details on using hashes here.

Provenance

The following attestation bundles were made for mdapy-1.0.0-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl:

Publisher: publish.yml on mushroomfire/mdapy

Attestations: Values shown here reflect the state when the release was signed and may no longer be current.

File details

Details for the file mdapy-1.0.0-cp310-cp310-macosx_14_0_arm64.whl.

File metadata

File hashes

Hashes for mdapy-1.0.0-cp310-cp310-macosx_14_0_arm64.whl
Algorithm Hash digest
SHA256 4c82565bea1b40b4bf83f04551b5d2093f9e5bacc87443b3bd3925f512a08b99
MD5 d631f3126e9bb38c750840f210a62e11
BLAKE2b-256 934fea78e0ef66d43acdbbd69cab62e9e39c62435448f7224cc544f8afb5099b

See more details on using hashes here.

Provenance

The following attestation bundles were made for mdapy-1.0.0-cp310-cp310-macosx_14_0_arm64.whl:

Publisher: publish.yml on mushroomfire/mdapy

Attestations: Values shown here reflect the state when the release was signed and may no longer be current.

File details

Details for the file mdapy-1.0.0-cp39-cp39-win_amd64.whl.

File metadata

  • Download URL: mdapy-1.0.0-cp39-cp39-win_amd64.whl
  • Upload date:
  • Size: 2.2 MB
  • Tags: CPython 3.9, Windows x86-64
  • Uploaded using Trusted Publishing? Yes
  • Uploaded via: twine/6.1.0 CPython/3.13.7

File hashes

Hashes for mdapy-1.0.0-cp39-cp39-win_amd64.whl
Algorithm Hash digest
SHA256 dc72d55e4233f6da9bd9065fd159fb000d813f92d30cb821653092b15ff735fe
MD5 716788fadb085d2e75696917f2849c9b
BLAKE2b-256 76faacc37f11e122fe7fb3dec58acfb15b199c969c418db8af763657d34b9ef1

See more details on using hashes here.

Provenance

The following attestation bundles were made for mdapy-1.0.0-cp39-cp39-win_amd64.whl:

Publisher: publish.yml on mushroomfire/mdapy

Attestations: Values shown here reflect the state when the release was signed and may no longer be current.

File details

Details for the file mdapy-1.0.0-cp39-cp39-win32.whl.

File metadata

  • Download URL: mdapy-1.0.0-cp39-cp39-win32.whl
  • Upload date:
  • Size: 2.1 MB
  • Tags: CPython 3.9, Windows x86
  • Uploaded using Trusted Publishing? Yes
  • Uploaded via: twine/6.1.0 CPython/3.13.7

File hashes

Hashes for mdapy-1.0.0-cp39-cp39-win32.whl
Algorithm Hash digest
SHA256 b6a9f52ce8d8419f84bb5fb0c0945ff135563f9407cd7bcc35d49f7432a00a1e
MD5 5cd38b78f549d7e52cb74816db526eaf
BLAKE2b-256 9e255e199dae070b4249579aa4cef7f68c6bbafafa873001cf5f834e1039e065

See more details on using hashes here.

Provenance

The following attestation bundles were made for mdapy-1.0.0-cp39-cp39-win32.whl:

Publisher: publish.yml on mushroomfire/mdapy

Attestations: Values shown here reflect the state when the release was signed and may no longer be current.

File details

Details for the file mdapy-1.0.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.

File metadata

File hashes

Hashes for mdapy-1.0.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm Hash digest
SHA256 14828e0419dc73f83e9cd74e2127cb5e3d6ceaa573122fc4a3972903e9ee1be1
MD5 41d0637b55391e45a3d0ffb6b9816c6e
BLAKE2b-256 5b0bb4def99824f89b989d7e24ad42038032a528e0225b3d00216a149290a3e8

See more details on using hashes here.

Provenance

The following attestation bundles were made for mdapy-1.0.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl:

Publisher: publish.yml on mushroomfire/mdapy

Attestations: Values shown here reflect the state when the release was signed and may no longer be current.

File details

Details for the file mdapy-1.0.0-cp39-cp39-macosx_14_0_arm64.whl.

File metadata

File hashes

Hashes for mdapy-1.0.0-cp39-cp39-macosx_14_0_arm64.whl
Algorithm Hash digest
SHA256 12d8f687719d375c3186c0691c8e3b45bd0b5a10bcfa0b13716ec88b13094c67
MD5 646c3d0965c950fdd8558992ace0810e
BLAKE2b-256 739026ff4fe55d9bd147a53eebd79dcceeacd928b7fde13384435bfdcd73a48b

See more details on using hashes here.

Provenance

The following attestation bundles were made for mdapy-1.0.0-cp39-cp39-macosx_14_0_arm64.whl:

Publisher: publish.yml on mushroomfire/mdapy

Attestations: Values shown here reflect the state when the release was signed and may no longer be current.

Supported by

AWS Cloud computing and Security Sponsor Datadog Monitoring Depot Continuous Integration Fastly CDN Google Download Analytics Pingdom Monitoring Sentry Error logging StatusPage Status page