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GitHub / matteoferla / Fragmenstein
Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/matteoferla%2FFragmenstein
Stars: 160
Forks: 13
Open Issues: 7
License: mit
Language: Python
Repo Size: 15.6 MB
Dependencies:
19
Created: about 4 years ago
Updated: 17 days ago
Last pushed: 17 days ago
Last synced: 15 days ago
Commit Stats
Commits: 549
Authors: 2
Mean commits per author: 274.5
Development Distribution Score: 0.044
More commit stats: https://commits.ecosyste.ms/hosts/GitHub/repositories/matteoferla/Fragmenstein
Topics: cheminformatics, drug-discovery
Files
Dependencies
- ipython *
- matplotlib >=3.5.2
- molecular-rectifier >=0.1.6
- nglview >=3.0.3
- numpy >=1.21.6
- pandas >=1.3.5
- pebble >=4.6.3
- rdkit-pypi >=2022.3.2.1
- rdkit-to-params >=1.2.1
- requests >=2.27.1
- scipy >=1.7.3
- singledispatchmethod >=1.0
- smallworld-api >=1.1
- sqlitedict >=2.0.0
- typing_extensions >=4.2.0