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https://github.com/adam-maz/virtual_screening
Within this repository I present scripts that can be helpful during virtual screening in drug design & development.
https://github.com/adam-maz/virtual_screening
clusterization jupyter-notebook k-means-clustering maestro-schrodinger medicinal-chemistry molecular-fingerprints pandas python rdkit scikit-learn scoring-functions virtual-screening
Last synced: 3 days ago
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Within this repository I present scripts that can be helpful during virtual screening in drug design & development.
- Host: GitHub
- URL: https://github.com/adam-maz/virtual_screening
- Owner: Adam-maz
- Created: 2025-02-16T23:15:33.000Z (4 days ago)
- Default Branch: main
- Last Pushed: 2025-02-16T23:18:03.000Z (4 days ago)
- Last Synced: 2025-02-17T00:20:55.261Z (4 days ago)
- Topics: clusterization, jupyter-notebook, k-means-clustering, maestro-schrodinger, medicinal-chemistry, molecular-fingerprints, pandas, python, rdkit, scikit-learn, scoring-functions, virtual-screening
- Language: Jupyter Notebook
- Homepage:
- Size: 3.91 KB
- Stars: 0
- Watchers: 1
- Forks: 0
- Open Issues: 0