Python wrapper for OpenMM (a C++ MD package)

Navigation

Verified details

These details have been verified by PyPI
Maintainers
Avatar for mmh from gravatar.com mmh Avatar for peastman from gravatar.com peastman Avatar for rmcgibbo from gravatar.com rmcgibbo

Unverified details

These details have not been verified by PyPI
Project links
Meta
  • License: Python Software Foundation License (BSD-like)
  • Author: Peter Eastman
  • Provides-Extra: cuda12 , cuda13 , hip6 , hip7
Report project as malware

Project description

OpenMM is a toolkit for molecular simulation. It can be used either as a

stand-alone application for running simulations, or as a library you call from your own code. It provides a combination of extreme flexibility (through custom forces and integrators), openness, and high performance (especially on recent GPUs) that make it truly unique among simulation codes.

Project details

Verified details

These details have been verified by PyPI
Maintainers
Avatar for mmh from gravatar.com mmh Avatar for peastman from gravatar.com peastman Avatar for rmcgibbo from gravatar.com rmcgibbo

Unverified details

These details have not been verified by PyPI
Project links
Meta
  • License: Python Software Foundation License (BSD-like)
  • Author: Peter Eastman
  • Provides-Extra: cuda12 , cuda13 , hip6 , hip7

Release history Release notifications | RSS feed

This version

8.6.0b0 pre-release

8.5.2

8.5.2rc1 pre-release

8.5.1

8.5.1rc1 pre-release

8.5.0

8.5.0rc1 pre-release

8.5.0b0 pre-release

8.4.0.post2

8.4.0.post1

8.4.0

8.4.0rc2 pre-release

8.4.0rc1 pre-release

8.4.0b0 pre-release

8.3.1

8.3.1rc1 pre-release

8.3.0

8.3.0rc2 pre-release

8.3.0rc1 pre-release

8.3.0b1 pre-release

8.2.0

8.2.0rc2.post1 pre-release

8.2.0rc2 pre-release

8.2.0rc1 pre-release

8.1.1

Download files

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

Source Distributions

No source distribution files available for this release.See tutorial on generating distribution archives.

Built Distributions

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

openmm-8.6.0b0-cp314-cp314-win_amd64.whl (13.2 MB view details)

Uploaded CPython 3.14Windows x86-64

openmm-8.6.0b0-cp314-cp314-manylinux_2_34_x86_64.whl (14.4 MB view details)

Uploaded CPython 3.14manylinux: glibc 2.34+ x86-64

openmm-8.6.0b0-cp314-cp314-manylinux_2_34_aarch64.whl (13.9 MB view details)

Uploaded CPython 3.14manylinux: glibc 2.34+ ARM64

openmm-8.6.0b0-cp314-cp314-macosx_11_0_arm64.whl (12.9 MB view details)

Uploaded CPython 3.14macOS 11.0+ ARM64

openmm-8.6.0b0-cp314-cp314-macosx_10_12_x86_64.whl (13.4 MB view details)

Uploaded CPython 3.14macOS 10.12+ x86-64

openmm-8.6.0b0-cp313-cp313-win_amd64.whl (13.2 MB view details)

Uploaded CPython 3.13Windows x86-64

openmm-8.6.0b0-cp313-cp313-manylinux_2_34_x86_64.whl (14.4 MB view details)

Uploaded CPython 3.13manylinux: glibc 2.34+ x86-64

openmm-8.6.0b0-cp313-cp313-manylinux_2_34_aarch64.whl (13.9 MB view details)

Uploaded CPython 3.13manylinux: glibc 2.34+ ARM64

openmm-8.6.0b0-cp313-cp313-macosx_11_0_arm64.whl (12.9 MB view details)

Uploaded CPython 3.13macOS 11.0+ ARM64

openmm-8.6.0b0-cp313-cp313-macosx_10_12_x86_64.whl (13.4 MB view details)

Uploaded CPython 3.13macOS 10.12+ x86-64

openmm-8.6.0b0-cp312-cp312-win_amd64.whl (13.2 MB view details)

Uploaded CPython 3.12Windows x86-64

openmm-8.6.0b0-cp312-cp312-manylinux_2_34_x86_64.whl (14.4 MB view details)

Uploaded CPython 3.12manylinux: glibc 2.34+ x86-64

openmm-8.6.0b0-cp312-cp312-manylinux_2_34_aarch64.whl (14.0 MB view details)

Uploaded CPython 3.12manylinux: glibc 2.34+ ARM64

openmm-8.6.0b0-cp312-cp312-macosx_11_0_arm64.whl (12.9 MB view details)

Uploaded CPython 3.12macOS 11.0+ ARM64

openmm-8.6.0b0-cp312-cp312-macosx_10_12_x86_64.whl (13.4 MB view details)

Uploaded CPython 3.12macOS 10.12+ x86-64

openmm-8.6.0b0-cp311-cp311-win_amd64.whl (13.2 MB view details)

Uploaded CPython 3.11Windows x86-64

openmm-8.6.0b0-cp311-cp311-manylinux_2_34_x86_64.whl (14.4 MB view details)

Uploaded CPython 3.11manylinux: glibc 2.34+ x86-64

openmm-8.6.0b0-cp311-cp311-manylinux_2_34_aarch64.whl (14.0 MB view details)

Uploaded CPython 3.11manylinux: glibc 2.34+ ARM64

openmm-8.6.0b0-cp311-cp311-macosx_11_0_arm64.whl (12.9 MB view details)

Uploaded CPython 3.11macOS 11.0+ ARM64

openmm-8.6.0b0-cp311-cp311-macosx_10_12_x86_64.whl (13.4 MB view details)

Uploaded CPython 3.11macOS 10.12+ x86-64

openmm-8.6.0b0-cp310-cp310-win_amd64.whl (13.2 MB view details)

Uploaded CPython 3.10Windows x86-64

openmm-8.6.0b0-cp310-cp310-manylinux_2_34_x86_64.whl (14.4 MB view details)

Uploaded CPython 3.10manylinux: glibc 2.34+ x86-64

openmm-8.6.0b0-cp310-cp310-manylinux_2_34_aarch64.whl (14.0 MB view details)

Uploaded CPython 3.10manylinux: glibc 2.34+ ARM64

openmm-8.6.0b0-cp310-cp310-macosx_11_0_arm64.whl (12.9 MB view details)

Uploaded CPython 3.10macOS 11.0+ ARM64

openmm-8.6.0b0-cp310-cp310-macosx_10_12_x86_64.whl (13.4 MB view details)

Uploaded CPython 3.10macOS 10.12+ x86-64

File details

Details for the file openmm-8.6.0b0-cp314-cp314-win_amd64.whl.

File metadata

  • Download URL: openmm-8.6.0b0-cp314-cp314-win_amd64.whl
  • Upload date:
  • Size: 13.2 MB
  • Tags: CPython 3.14, Windows x86-64
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/6.2.0 CPython/3.12.12

File hashes

Hashes for openmm-8.6.0b0-cp314-cp314-win_amd64.whl
Algorithm Hash digest
SHA256 dbfea13ee9bdb6c0c0c1982bec24c62c0639c16cf7a1f94c210f520a2320def6
MD5 19833d198c6bc78a8bedfec291c1bec5
BLAKE2b-256 c7d2dd3fc37186acc2a6d4582f18416e68bde3d805eb12ff58df3db844639ec3

See more details on using hashes here.

File details

Details for the file openmm-8.6.0b0-cp314-cp314-manylinux_2_34_x86_64.whl.

File metadata

File hashes

Hashes for openmm-8.6.0b0-cp314-cp314-manylinux_2_34_x86_64.whl
Algorithm Hash digest
SHA256 08b37c7f12d1ffddfa83b2fb9f338eef88c98cc873c303eff5175faf80923524
MD5 ebaae419f54acbb723c2dbbe101bd1ab
BLAKE2b-256 f552fcbded05c71417c75928a3ed77705f39b7521f574c8528bdc00024affd74

See more details on using hashes here.

File details

Details for the file openmm-8.6.0b0-cp314-cp314-manylinux_2_34_aarch64.whl.

File metadata

File hashes

Hashes for openmm-8.6.0b0-cp314-cp314-manylinux_2_34_aarch64.whl
Algorithm Hash digest
SHA256 d593b19586c969eb6df354dbe373d807e93df100cd6d3063a1ab019793bfb392
MD5 2f09e3853d7902b55def9223482cb1f3
BLAKE2b-256 6143d2c11890eb0f9f5ab70ac13cc7dd58a62deb9bb3e2626c69f855d59777a9

See more details on using hashes here.

File details

Details for the file openmm-8.6.0b0-cp314-cp314-macosx_11_0_arm64.whl.

File metadata

File hashes

Hashes for openmm-8.6.0b0-cp314-cp314-macosx_11_0_arm64.whl
Algorithm Hash digest
SHA256 b630e8269348b478c6baeafb9a3b9540538a8c375a6dbfe3be330334c8e83464
MD5 95b27031d54a57c8e75f30332def682d
BLAKE2b-256 23111df25939c134c0e3bac4d246c5ce317be08632fc1aac4e4a1049a9c89a43

See more details on using hashes here.

File details

Details for the file openmm-8.6.0b0-cp314-cp314-macosx_10_12_x86_64.whl.

File metadata

File hashes

Hashes for openmm-8.6.0b0-cp314-cp314-macosx_10_12_x86_64.whl
Algorithm Hash digest
SHA256 0d2430a50f8d11adc0cf951fb081ea3b0775dd2cb029784e334e8ea2b9dd7437
MD5 443495288937b58548fd2975435ef769
BLAKE2b-256 a0e7bba333bded0aa109cd4c209b5bad36f2d5a25713a97b29192cbcbef2b1c0

See more details on using hashes here.

File details

Details for the file openmm-8.6.0b0-cp313-cp313-win_amd64.whl.

File metadata

  • Download URL: openmm-8.6.0b0-cp313-cp313-win_amd64.whl
  • Upload date:
  • Size: 13.2 MB
  • Tags: CPython 3.13, Windows x86-64
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/6.2.0 CPython/3.12.12

File hashes

Hashes for openmm-8.6.0b0-cp313-cp313-win_amd64.whl
Algorithm Hash digest
SHA256 148b9b9c2c18908b2c270dfc6b956c053be2c68a29089bd153126c619f9c4cec
MD5 03712343899e5d880faee73a2241b626
BLAKE2b-256 69e4c5006f0d8b490c3d94f31fa1d2b994f41cb32b47bd362ca4a6caefd8e060

See more details on using hashes here.

File details

Details for the file openmm-8.6.0b0-cp313-cp313-manylinux_2_34_x86_64.whl.

File metadata

File hashes

Hashes for openmm-8.6.0b0-cp313-cp313-manylinux_2_34_x86_64.whl
Algorithm Hash digest
SHA256 86235d4e601d09e7dd70f4a5dce4b3175ebb10e7fff35f82ce37baa332e93622
MD5 6c9a56d360ebe59bbba51d965f79688f
BLAKE2b-256 ef3f5bc47ca9317f2a544b2d3ce1d3ff28b7fcb7a997d98e2cf90be36a82c8d2

See more details on using hashes here.

File details

Details for the file openmm-8.6.0b0-cp313-cp313-manylinux_2_34_aarch64.whl.

File metadata

File hashes

Hashes for openmm-8.6.0b0-cp313-cp313-manylinux_2_34_aarch64.whl
Algorithm Hash digest
SHA256 bafcb2e5bcc44b7e5fd93f2f3fa1ee4066c3efaa362051389295223cd554d533
MD5 0101a5cf2911571c6bba4d6296364560
BLAKE2b-256 18f703a335bee2603b0ec8132331a5b6999992e77ed093d433c3a73d8a20549d

See more details on using hashes here.

File details

Details for the file openmm-8.6.0b0-cp313-cp313-macosx_11_0_arm64.whl.

File metadata

File hashes

Hashes for openmm-8.6.0b0-cp313-cp313-macosx_11_0_arm64.whl
Algorithm Hash digest
SHA256 b647d23e60a0a23ae50f1f2b0fc7a995c93c572616d03f4214264ab8ed8a7007
MD5 fd7be61e3e7722f93fc42dc44b7144f3
BLAKE2b-256 e6e9fdf3afb855dd68ebe107913d8425b24be69134ba5b1df66dee7d2b4a684f

See more details on using hashes here.

File details

Details for the file openmm-8.6.0b0-cp313-cp313-macosx_10_12_x86_64.whl.

File metadata

File hashes

Hashes for openmm-8.6.0b0-cp313-cp313-macosx_10_12_x86_64.whl
Algorithm Hash digest
SHA256 5fab929e292d725115b1b3a89c7580e54ddb105937ffc30df94b929843323c30
MD5 fd41c4c4ecc66f7ae321f98c1fb3dc70
BLAKE2b-256 dc854484b96ee3ca034867e3f3892e80d66888b2769b4d51a7a070764e246cc4

See more details on using hashes here.

File details

Details for the file openmm-8.6.0b0-cp312-cp312-win_amd64.whl.

File metadata

  • Download URL: openmm-8.6.0b0-cp312-cp312-win_amd64.whl
  • Upload date:
  • Size: 13.2 MB
  • Tags: CPython 3.12, Windows x86-64
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/6.2.0 CPython/3.12.12

File hashes

Hashes for openmm-8.6.0b0-cp312-cp312-win_amd64.whl
Algorithm Hash digest
SHA256 0e962526d7a791587357e776f9cd57473043029b0c8b17b0b903b0f96ca19d2a
MD5 96785462026d40eec171c758c49d87c2
BLAKE2b-256 c862f27a99494ca76ba4a5a61b1b864df60a7fd074d7b4814a19c36cccfe5619

See more details on using hashes here.

File details

Details for the file openmm-8.6.0b0-cp312-cp312-manylinux_2_34_x86_64.whl.

File metadata

File hashes

Hashes for openmm-8.6.0b0-cp312-cp312-manylinux_2_34_x86_64.whl
Algorithm Hash digest
SHA256 541c234313a4fa371cfcb770cfae84925e1b463dd4e3d5768daa22982653c137
MD5 71dad5bab03b1c70bd38cb7f5cbc7a4a
BLAKE2b-256 00290fb4a342c7a34c547765bebbcdfe2e25aa043cec1e92b4f3666207ec81ce

See more details on using hashes here.

File details

Details for the file openmm-8.6.0b0-cp312-cp312-manylinux_2_34_aarch64.whl.

File metadata

File hashes

Hashes for openmm-8.6.0b0-cp312-cp312-manylinux_2_34_aarch64.whl
Algorithm Hash digest
SHA256 59f0bc328ee9ac8a6cd13e708b71bb92ebeaba34410134b33361717142880ba4
MD5 260476fad51d23adc207d9666309c2fa
BLAKE2b-256 8fc92c200c7191477a095e14983531c46faad721c7455b483be1a502c297c5e8

See more details on using hashes here.

File details

Details for the file openmm-8.6.0b0-cp312-cp312-macosx_11_0_arm64.whl.

File metadata

File hashes

Hashes for openmm-8.6.0b0-cp312-cp312-macosx_11_0_arm64.whl
Algorithm Hash digest
SHA256 1aa6b9fc15472b2ad2b8d6bb6be34bf6a952990a2cea82ec653fdb45051a9188
MD5 78dd98645ecd6953d7185bed7964f440
BLAKE2b-256 c5130b1842daeccdc1ece6e381d6d1c63b3efc5f5f6d4fcdbcc47270c6dcbd1c

See more details on using hashes here.

File details

Details for the file openmm-8.6.0b0-cp312-cp312-macosx_10_12_x86_64.whl.

File metadata

File hashes

Hashes for openmm-8.6.0b0-cp312-cp312-macosx_10_12_x86_64.whl
Algorithm Hash digest
SHA256 7a047005fc00a87ebd4da0fd89f71460c2db060df1dbfa49d25d8bd86965e39d
MD5 af519776692fb4ade2d6b1ecaf7f827d
BLAKE2b-256 3a4daab011bbbeada7243e13ac1812755b972b6caaac3393ac0c4faa3fe5eded

See more details on using hashes here.

File details

Details for the file openmm-8.6.0b0-cp311-cp311-win_amd64.whl.

File metadata

  • Download URL: openmm-8.6.0b0-cp311-cp311-win_amd64.whl
  • Upload date:
  • Size: 13.2 MB
  • Tags: CPython 3.11, Windows x86-64
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/6.2.0 CPython/3.12.12

File hashes

Hashes for openmm-8.6.0b0-cp311-cp311-win_amd64.whl
Algorithm Hash digest
SHA256 fb93e3575546d0db8ddd22345a55660f58d1de0ebc19f754e49b92a846226a7c
MD5 adb1d1a0457f80f2fca184c3c45952ba
BLAKE2b-256 080bfbca2cae43e68366f3cd5e9aa8aa14e10ad77d3508952024e28ed429485b

See more details on using hashes here.

File details

Details for the file openmm-8.6.0b0-cp311-cp311-manylinux_2_34_x86_64.whl.

File metadata

File hashes

Hashes for openmm-8.6.0b0-cp311-cp311-manylinux_2_34_x86_64.whl
Algorithm Hash digest
SHA256 20a3d3122c83a15369b6adeaa5df871d4a347d933ce16783e9ebcf7b97a78659
MD5 59d2c17b017aeb4ea5ecbff18e968a3a
BLAKE2b-256 bcaa53e46fadbdd6e0101545f06eebe3fe705222c0128da23df16f5a0bfed37f

See more details on using hashes here.

File details

Details for the file openmm-8.6.0b0-cp311-cp311-manylinux_2_34_aarch64.whl.

File metadata

File hashes

Hashes for openmm-8.6.0b0-cp311-cp311-manylinux_2_34_aarch64.whl
Algorithm Hash digest
SHA256 b64078b6e3efb56147280214c30f91566597c958dad31d2a732e88214d706040
MD5 00feee0bd22d2e9dcb282d3c91ec2810
BLAKE2b-256 27a2d8b64801c2e7bd1c876e5bfb980860db457ef2501891b059e8ad86553ce2

See more details on using hashes here.

File details

Details for the file openmm-8.6.0b0-cp311-cp311-macosx_11_0_arm64.whl.

File metadata

File hashes

Hashes for openmm-8.6.0b0-cp311-cp311-macosx_11_0_arm64.whl
Algorithm Hash digest
SHA256 9ca38889ffeda9e34edac8471c7ad8a8bbd59d484ad76e5359e16adf90fe95a9
MD5 ae7bac2cf6eadc17975c9163230cd8a6
BLAKE2b-256 4c7407e63e6e530818da06657f6a9718f2ebe896759c996631be092bb8ad4004

See more details on using hashes here.

File details

Details for the file openmm-8.6.0b0-cp311-cp311-macosx_10_12_x86_64.whl.

File metadata

File hashes

Hashes for openmm-8.6.0b0-cp311-cp311-macosx_10_12_x86_64.whl
Algorithm Hash digest
SHA256 1ac1abecf2de83f512f021ab9e10ae1986e18c1ce5ae74422f3ca98dd42ae255
MD5 b7e4ad4d23b8ae6329a0d9794eb1c75a
BLAKE2b-256 2f2c58cf8bfe0c913493c99deac664ed759452ef29f79d29f71870847b2b6af3

See more details on using hashes here.

File details

Details for the file openmm-8.6.0b0-cp310-cp310-win_amd64.whl.

File metadata

  • Download URL: openmm-8.6.0b0-cp310-cp310-win_amd64.whl
  • Upload date:
  • Size: 13.2 MB
  • Tags: CPython 3.10, Windows x86-64
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/6.2.0 CPython/3.12.12

File hashes

Hashes for openmm-8.6.0b0-cp310-cp310-win_amd64.whl
Algorithm Hash digest
SHA256 993c085af560d24cb29fb6cccd6ecfd293ff00deb1aa58b4d5318a5f4621a3c3
MD5 52fd3d3b1d2155981d1962f2563fa3ef
BLAKE2b-256 e7746e02a1b6fca31d531d44a1fe05fde0b288ce6acfabec1672d07e56f9901a

See more details on using hashes here.

File details

Details for the file openmm-8.6.0b0-cp310-cp310-manylinux_2_34_x86_64.whl.

File metadata

File hashes

Hashes for openmm-8.6.0b0-cp310-cp310-manylinux_2_34_x86_64.whl
Algorithm Hash digest
SHA256 f2f88a13100d8e72fef4f9a8baaa7803ab9b4aaa9bdc3484835cec62b541113e
MD5 f27c840cbac435a0fc4414e9644924ba
BLAKE2b-256 0f8dcb924c9c516765cc1cac1155bdd629374b50164112003a1d1dff09768dff

See more details on using hashes here.

File details

Details for the file openmm-8.6.0b0-cp310-cp310-manylinux_2_34_aarch64.whl.

File metadata

File hashes

Hashes for openmm-8.6.0b0-cp310-cp310-manylinux_2_34_aarch64.whl
Algorithm Hash digest
SHA256 f70c4085e99082c98266a5552aa00520290ccbf656de117c923114641d84d6d1
MD5 b0c8c74b5672c5d39dea06828ac9afc9
BLAKE2b-256 1d7d7c50064d5db540cac644e20b3f83fa6a9b78780dcd91a52c027475428cd5

See more details on using hashes here.

File details

Details for the file openmm-8.6.0b0-cp310-cp310-macosx_11_0_arm64.whl.

File metadata

File hashes

Hashes for openmm-8.6.0b0-cp310-cp310-macosx_11_0_arm64.whl
Algorithm Hash digest
SHA256 4c2acf39006c4b21786108e23309507c6f6c0ad52932e4b9506981b216de77b8
MD5 08633a67d58607e9b965a9ea0240ce57
BLAKE2b-256 ae6aaa817867854b57119a1d33bc44ce16bb6e2141b8b1fa9572563b94aaada9

See more details on using hashes here.

File details

Details for the file openmm-8.6.0b0-cp310-cp310-macosx_10_12_x86_64.whl.

File metadata

File hashes

Hashes for openmm-8.6.0b0-cp310-cp310-macosx_10_12_x86_64.whl
Algorithm Hash digest
SHA256 9f06af871a8aca2967ded620782ff832e098d9b56f0e9404c1c69bd6d14b769e
MD5 d74e5172fa5db3273edfd1cfda8e7c42
BLAKE2b-256 b113f09c015170021f6d71bf23719dc3c75ee86d3cb93829d2c8e8f1d7bc3b98

See more details on using hashes here.

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