Python bindings for molpack molecular packing (Packmol port)
Project description
molcrafts-molpack
Python bindings for molpack — a faithful Rust port of Packmol for
molecular packing, with a Packmol-compatible .inp script format.
The wheel is built without the io feature: structure frames are loaded
through your installed molrs Python package, and molpack builds packing
targets from the loaded frame.
See the project repository for full
documentation, the .inp script reference, and examples.
Project details
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distributions
Filter files by name, interpreter, ABI, and platform.
If you're not sure about the file name format, learn more about wheel file names.
Copy a direct link to the current filters
File details
Details for the file molcrafts_molpack-0.1.0.tar.gz.
File metadata
- Download URL: molcrafts_molpack-0.1.0.tar.gz
- Upload date:
- Size: 2.4 MB
- Tags: Source
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/6.1.0 CPython/3.13.12
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
fae74554f11133a61116b3df0d1e9736e7a777f5b036191dd068e96c09bffbbd
|
|
| MD5 |
48a35b03a11fe65cd3c4526235924d71
|
|
| BLAKE2b-256 |
94bef7533ceee9664e0f66a1a01c2b203e3751c6e076c7c1096c6b678368b1d9
|
Provenance
The following attestation bundles were made for molcrafts_molpack-0.1.0.tar.gz:
Publisher:
publish-pypi.yml on MolCrafts/molpack
-
Statement:
-
Statement type:
https://in-toto.io/Statement/v1 -
Predicate type:
https://docs.pypi.org/attestations/publish/v1 -
Subject name:
molcrafts_molpack-0.1.0.tar.gz -
Subject digest:
fae74554f11133a61116b3df0d1e9736e7a777f5b036191dd068e96c09bffbbd - Sigstore transparency entry: 2067380364
- Sigstore integration time:
-
Permalink:
MolCrafts/molpack@ba8fe22ab5530b637b82cd33fa98776268ed42dc -
Branch / Tag:
refs/tags/v0.1.0 - Owner: https://github.com/MolCrafts
-
Access:
public
-
Token Issuer:
https://token.actions.githubusercontent.com -
Runner Environment:
github-hosted -
Publication workflow:
publish-pypi.yml@ba8fe22ab5530b637b82cd33fa98776268ed42dc -
Trigger Event:
push
-
Statement type:
File details
Details for the file molcrafts_molpack-0.1.0-cp313-cp313-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.
File metadata
- Download URL: molcrafts_molpack-0.1.0-cp313-cp313-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
- Upload date:
- Size: 1.4 MB
- Tags: CPython 3.13, manylinux: glibc 2.17+ x86-64
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/6.1.0 CPython/3.13.12
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
ed268c32e64c518eb543273685626a896f65534529b27160aba4ecba412d2344
|
|
| MD5 |
4e6df93b218c3b8104364c084fed4ee8
|
|
| BLAKE2b-256 |
7042e700a5ca5a1c142cb4714b7422ff183c843971f08a19c24b5d878cc53cc0
|
Provenance
The following attestation bundles were made for molcrafts_molpack-0.1.0-cp313-cp313-manylinux_2_17_x86_64.manylinux2014_x86_64.whl:
Publisher:
publish-pypi.yml on MolCrafts/molpack
-
Statement:
-
Statement type:
https://in-toto.io/Statement/v1 -
Predicate type:
https://docs.pypi.org/attestations/publish/v1 -
Subject name:
molcrafts_molpack-0.1.0-cp313-cp313-manylinux_2_17_x86_64.manylinux2014_x86_64.whl -
Subject digest:
ed268c32e64c518eb543273685626a896f65534529b27160aba4ecba412d2344 - Sigstore transparency entry: 2067381755
- Sigstore integration time:
-
Permalink:
MolCrafts/molpack@ba8fe22ab5530b637b82cd33fa98776268ed42dc -
Branch / Tag:
refs/tags/v0.1.0 - Owner: https://github.com/MolCrafts
-
Access:
public
-
Token Issuer:
https://token.actions.githubusercontent.com -
Runner Environment:
github-hosted -
Publication workflow:
publish-pypi.yml@ba8fe22ab5530b637b82cd33fa98776268ed42dc -
Trigger Event:
push
-
Statement type:
File details
Details for the file molcrafts_molpack-0.1.0-cp313-cp313-macosx_10_12_x86_64.macosx_11_0_arm64.macosx_10_12_universal2.whl.
File metadata
- Download URL: molcrafts_molpack-0.1.0-cp313-cp313-macosx_10_12_x86_64.macosx_11_0_arm64.macosx_10_12_universal2.whl
- Upload date:
- Size: 2.4 MB
- Tags: CPython 3.13, macOS 10.12+ universal2 (ARM64, x86-64), macOS 10.12+ x86-64, macOS 11.0+ ARM64
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/6.1.0 CPython/3.13.12
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
50917f4ddce22c538ac3a5c31fe851e9a5b765a84a9fd97fe07046ea4302f52b
|
|
| MD5 |
7e653806c2632a462ab4c4e57564d17c
|
|
| BLAKE2b-256 |
1dea3dc24635d8caf4151f15416bb0b9a064a384005768c64b3f9091c09f0985
|
Provenance
The following attestation bundles were made for molcrafts_molpack-0.1.0-cp313-cp313-macosx_10_12_x86_64.macosx_11_0_arm64.macosx_10_12_universal2.whl:
Publisher:
publish-pypi.yml on MolCrafts/molpack
-
Statement:
-
Statement type:
https://in-toto.io/Statement/v1 -
Predicate type:
https://docs.pypi.org/attestations/publish/v1 -
Subject name:
molcrafts_molpack-0.1.0-cp313-cp313-macosx_10_12_x86_64.macosx_11_0_arm64.macosx_10_12_universal2.whl -
Subject digest:
50917f4ddce22c538ac3a5c31fe851e9a5b765a84a9fd97fe07046ea4302f52b - Sigstore transparency entry: 2067380849
- Sigstore integration time:
-
Permalink:
MolCrafts/molpack@ba8fe22ab5530b637b82cd33fa98776268ed42dc -
Branch / Tag:
refs/tags/v0.1.0 - Owner: https://github.com/MolCrafts
-
Access:
public
-
Token Issuer:
https://token.actions.githubusercontent.com -
Runner Environment:
github-hosted -
Publication workflow:
publish-pypi.yml@ba8fe22ab5530b637b82cd33fa98776268ed42dc -
Trigger Event:
push
-
Statement type:
File details
Details for the file molcrafts_molpack-0.1.0-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.
File metadata
- Download URL: molcrafts_molpack-0.1.0-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
- Upload date:
- Size: 1.4 MB
- Tags: CPython 3.12, manylinux: glibc 2.17+ x86-64
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/6.1.0 CPython/3.13.12
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
967497d2bbb9b7b28ac3aeda0bdfb1a638ac3a7a981f9aa6e8138fca60dad88b
|
|
| MD5 |
8e54128c7e9f1c36cbe996f8c49a7ba1
|
|
| BLAKE2b-256 |
ab23f32015d523fe6239cee18415340a97382fa7e9bf2813afee9e327c34be65
|
Provenance
The following attestation bundles were made for molcrafts_molpack-0.1.0-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl:
Publisher:
publish-pypi.yml on MolCrafts/molpack
-
Statement:
-
Statement type:
https://in-toto.io/Statement/v1 -
Predicate type:
https://docs.pypi.org/attestations/publish/v1 -
Subject name:
molcrafts_molpack-0.1.0-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl -
Subject digest:
967497d2bbb9b7b28ac3aeda0bdfb1a638ac3a7a981f9aa6e8138fca60dad88b - Sigstore transparency entry: 2067381451
- Sigstore integration time:
-
Permalink:
MolCrafts/molpack@ba8fe22ab5530b637b82cd33fa98776268ed42dc -
Branch / Tag:
refs/tags/v0.1.0 - Owner: https://github.com/MolCrafts
-
Access:
public
-
Token Issuer:
https://token.actions.githubusercontent.com -
Runner Environment:
github-hosted -
Publication workflow:
publish-pypi.yml@ba8fe22ab5530b637b82cd33fa98776268ed42dc -
Trigger Event:
push
-
Statement type:
File details
Details for the file molcrafts_molpack-0.1.0-cp312-cp312-macosx_10_12_x86_64.macosx_11_0_arm64.macosx_10_12_universal2.whl.
File metadata
- Download URL: molcrafts_molpack-0.1.0-cp312-cp312-macosx_10_12_x86_64.macosx_11_0_arm64.macosx_10_12_universal2.whl
- Upload date:
- Size: 2.4 MB
- Tags: CPython 3.12, macOS 10.12+ universal2 (ARM64, x86-64), macOS 10.12+ x86-64, macOS 11.0+ ARM64
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/6.1.0 CPython/3.13.12
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
261974db195071051974e4b028dc4e6a46ce956a3114bc669912a0d6d932bcd1
|
|
| MD5 |
1d751e9b44447d87110061739094e6bb
|
|
| BLAKE2b-256 |
e49d202d96e7baf4fbead839aaaba6638967a13a2090e2670a1758bdbf9fa10c
|
Provenance
The following attestation bundles were made for molcrafts_molpack-0.1.0-cp312-cp312-macosx_10_12_x86_64.macosx_11_0_arm64.macosx_10_12_universal2.whl:
Publisher:
publish-pypi.yml on MolCrafts/molpack
-
Statement:
-
Statement type:
https://in-toto.io/Statement/v1 -
Predicate type:
https://docs.pypi.org/attestations/publish/v1 -
Subject name:
molcrafts_molpack-0.1.0-cp312-cp312-macosx_10_12_x86_64.macosx_11_0_arm64.macosx_10_12_universal2.whl -
Subject digest:
261974db195071051974e4b028dc4e6a46ce956a3114bc669912a0d6d932bcd1 - Sigstore transparency entry: 2067381147
- Sigstore integration time:
-
Permalink:
MolCrafts/molpack@ba8fe22ab5530b637b82cd33fa98776268ed42dc -
Branch / Tag:
refs/tags/v0.1.0 - Owner: https://github.com/MolCrafts
-
Access:
public
-
Token Issuer:
https://token.actions.githubusercontent.com -
Runner Environment:
github-hosted -
Publication workflow:
publish-pypi.yml@ba8fe22ab5530b637b82cd33fa98776268ed42dc -
Trigger Event:
push
-
Statement type:
