Downloads in the 30 and 7 days to October 10, 2026. Refreshed weekly.
Package Information
No reported malware or high/critical advisories · Details
The current version has no OSV.dev malware reports and no critical or high-severity vulnerabilities.
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((week_daily_avg - month_daily_avg) / month_daily_avg) * 100More insights and metrics
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Dependencies
- acellera-pdb2pqr >=3.7.1.post2
- acellera-propka
- biopython
- matplotlib
- mdtraj
- msgpack
- networkx
- numpy >=1.23.5
- pandas >=1.1.2
- rdkit >=2020.09.5
- requests
- tqdm
7 optional dependencies
-
molviewspec[notebook]extra == "notebook"
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nvidia-cuda-cupti-cu12<12.7[openmm]extra == "openmm"
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nvidia-cuda-nvcc-cu12<12.7[openmm]extra == "openmm"
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nvidia-cuda-nvrtc-cu12<12.7[openmm]extra == "openmm"
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nvidia-cuda-runtime-cu12<12.7[openmm]extra == "openmm"
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nvidia-nvjitlink-cu12<12.7[openmm]extra == "openmm"
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openmm>=8.5.0[openmm]extra == "openmm"
Used By
- acellera-htmd 2.6K/mo
- acemd 993/mo
- allmetal3d 512/mo
- biobrigit 217/mo
- ffevaluation 205/mo