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guacamol

Guacamol: benchmarks for de novo molecular design

Latest release
Sep 19, 2023
Releases
7
Known CVEs
0
First release
Nov 28, 2018
License
MIT
View on Pypi
Repository

Source

benevolentai/guacamol
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Activity

Total releases
7
Last 12 months
0
Cadence
~9 months
Dependencies
7

Releases per month

last 12 months

Release mix

  • minor 1
  • patch 5
7 releases
Dependencies

Depends on

0.5.5
  • pypi fcd >=1.1
  • pypi joblib >=0.12.5
  • pypi numpy >=1.15.2
  • pypi rdkit >=2018.09.1.0
  • pypi rdkit-pypi >=2021.9.2.1
  • pypi scipy >=1.1.0
  • pypi tqdm >=4.26.0

Used by

1
Releases
Version Released
0.5.5 patch
0.5.4 patch
0.5.3 patch
0.5.2 patch
0.5.0 minor
0.3.2 patch
0.3.1 initial