4 projects
Ersilia Model Hub
The Ersilia Model Hub is an open-source platform that provides access to AI/ML models for drug discovery and biomedical research. It enables scientists to deploy and use pre-trained models through a standardized interface, focusing on making computational drug discovery tools more accessible to the broader scientific community.
Contributors
494
Organizations
41
Software value
$1.1M
Reaction Mechanism Generator (RMG)
Reaction Mechanism Generator (RMG) is an open-source software tool for automatically generating detailed chemical kinetic mechanisms for modeling chemical reactions. It uses rate-based algorithm and fundamental chemical properties to predict the important reactions and species in a chemical system, producing comprehensive reaction networks for thermal chemistry.
Contributors
388
Organizations
28
Software value
$9.6M
Computational Crystallography Toolbox
Computational Crystallography Toolbox
Contributors
344
Organizations
46
Software value
$692M
Chemistry Development Kit (CDK)
The Chemistry Development Kit (CDK) is an open-source Java library for cheminformatics and bioinformatics that provides tools for structural chemistry, molecular modeling, and chemical informatics. It enables developers and researchers to process chemical structures, perform calculations, and analyze molecular data.
Contributors
342
Organizations
59
Software value
$29M