vijaymasand / PyChem-Pro
PyChem-Pro: 100% Python API, fast, flexible & programmable molecular viewer - 2D and 3D, molecular docking pose viewer, cheminformatics library, molecular descriptor calculator, molecular editor, chemical drawing editor, QSAR model developer, and many more...
Why this job: works in the areas we cover, but does not say which job it does
What it does
- SMILES parser with Huckel aromaticity perception, stereochemistry, bracketed atoms, radicals
- PDB / PDBx / mmCIF / PDBQT / MOL / MOL2 / SDF file readers with automatic bond detection and CONECT parsing
- PDBQT support for small and large molecules
- 3D coordinate generation from molecular topology (BFS + force-field relaxation)
- MMFF94 force field with hydrogen addition, bond stretching, angle bending, torsion, Van der Waals, and BCI partial charge assignment
Get started
pip install packaging pandas scipy scikit-learn matplotlib rdkitYou need: Operating System: Windows 10/11, macOS 12+, or any Linux distribution with Qt 6 support (Ubuntu 22.04+, Fedora 37+, Arch, etc.); Python: 3.10 or newer; RAM: 4 GB minimum, 8 GB recommended for large proteins (>5000 atoms)
- Maintenance
- Active
- Last commit 25 days ago
- Stars
- 403
- +2 this week
- Licence
- Custom
- Read before business use
- Downloads for
- None listed
- No release files
- Latest version
- v1.0.0
- Released 4 months ago
- Built with
- Python
- 100% of the code
Is it looked after?
- Contributors
- Not stated
- Last 90 days
- Issues
- 50% closed
- 1 still open
- Pull requests
- 1 merged
- 0 waiting
- Releases
- 1
- 1 in the last year
- No contributing guide
- No security policy
- No code of conduct
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More: languages, topics and project record
Languages
- Python 100%
- Shell <1%
- Batchfile <1%
Topics
- cheminformatics
- chemistry-drawing
- machine-learning
- molecular-viewer
- qsar
- chemical-editor
- chemical-space-plot
- bioinformatics
- drug-discovery
- molecular-descriptors
- molecular-docking
Project record
- JobOther AI tools
- StatusListed
- Commits292
- Forks15
- Watching2
- Stars in 28 days+9
- CreatedApr 7, 2026
- First seen by usNov 7, 2026
- CheckedNov 8, 2026