This release is a pre-release and may not be stable for production use.
molcrafts-molpy
The Python binding of molpy: a toolkit
for the full molecular-system workflow — parsing, building, editing, typing,
analyzing, and reading/writing simulation formats — on a Rust core. The wheel
carries the native core as molpy._core.
pip install molcrafts-molpy
import molpy as mp
mol = mp.io.smiles.read_smiles("CCO").to_atomistic()
The manual opens on molpy and continues in molrs: https://docs.molcrafts.org/molpy/
Metadata
Release files for molcrafts-molpy-nightly 0.20.0.dev202611041100
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Built distributions (wheels)
| File | Interpreter | ABI | Platform | Actions Reset |
|---|---|---|---|---|
| molcrafts_molpy_nightly-0.20.0.dev202611041100-cp312-abi3-win_amd64.whl | CPython 3.12 | abi3 | Windows x86-64 | Details for molcrafts_molpy_nightly-0.20.0.dev202611041100-cp312-abi3-win_amd64.whl |
| molcrafts_molpy_nightly-0.20.0.dev202611041100-cp312-abi3-manylinux2014_x86_64.manylinux_2_17_x86_64.whl | CPython 3.12 | abi3 | Linux glibc 2.17+ x86-64 | Details for molcrafts_molpy_nightly-0.20.0.dev202611041100-cp312-abi3-manylinux2014_x86_64.manylinux_2_17_x86_64.whl |
| molcrafts_molpy_nightly-0.20.0.dev202611041100-cp312-abi3-macosx_10_12_universal2.macosx_10_12_x86_64.macosx_11_0_arm64.whl | CPython 3.12 | abi3 | macOS 10.12+ x86-64, macOS 11.0+ ARM64, macOS 10.12+ universal2 (ARM64, x86-64) | Details for molcrafts_molpy_nightly-0.20.0.dev202611041100-cp312-abi3-macosx_10_12_universal2.macosx_10_12_x86_64.macosx_11_0_arm64.whl |
Total release size: 45.3 MB
Release files / molcrafts_molpy_nightly-0.20.0.dev202611041100-cp312-abi3-win_amd64.whl
| Download URL | molcrafts_molpy_nightly-0.20.0.dev202611041100-cp312-abi3-win_amd64.whl |
|---|---|
| Size | 12.2 MB |
| Tags | CPython 3.12 Windows x86-64 abi3 |
|
SHA-256 checksum How to use checksums |
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| Size | 11.8 MB |
| Tags | CPython 3.12 Linux glibc 2.17+ x86-64 abi3 |
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| Download URL | molcrafts_molpy_nightly-0.20.0.dev202611041100-cp312-abi3-macosx_10_12_universal2.macosx_10_12_x86_64.macosx_11_0_arm64.whl |
|---|---|
| Size | 21.4 MB |
| Tags | CPython 3.12 abi3 macOS 10.12+ universal2 (ARM64, x86-64) macOS 10.12+ x86-64 macOS 11.0+ ARM64 |
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