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  1. moldrug Public

    moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ​

    Python 26 4

  2. TOFF Public

    TOFF (Topologies from OpenFF) is a python package to get topologies from the OpenFF initiative for MD simulations

    Jupyter Notebook

  3. transrot Public

    Lightweight Python package to calculate translational vector and rotational matrix between two sets of 3D coordinates

    Python

  4. StreamJSME Public

    Streamlit component that use JSME to draw 2D molecules and use them on your Streamlit app

    Python 5 1

460 contributions in the last year

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Activity overview

Contributed to ale94mleon/moldrug, ale94mleon/transrot, ale94mleon/StreamJSME and 7 other repositories
Loading A graph representing ale94mleon's contributions from February 18, 2024 to February 23, 2025. The contributions are 93% commits, 3% issues, 3% pull requests, 1% code review.

Contribution activity

February 2025

Created 3 commits in 2 repositories
4 contributions in private repositories Feb 11 – Feb 23
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