State-of-the-art diffusion models for image and audio generation
A library for graph deep learning research
Molecular dynamics by NMR data analysis
Automated docking software tools from the Sanner lab at Scripps
Modular and comprehensive toolkit for use in cheminformatics
Molecular Dynamics Cell Construction
a Toolset for Molecular Mechanical Force Field Parameterization
Create, estimate and analyses gas pollutants and the possible costs
Open-Source Cheminformatics and Machine Learning
Carbon Fullerene and Capped Nanotube Generator
Balance chemical reaction and compute material balance
Python script that converts regular zmatrix to orca-zmatrix format.
Simple Molecular Interaction Potential Generator in Python