Stars
⚡️ Python client for the unofficial ChatGPT API with auto token regeneration, conversation tracking, proxy support and more.
Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.
Message Passing Neural Networks for Molecule Property Prediction
Unofficial python bindings for Valve's OpenVR virtual reality SDK
Automated Conformer Search for Multi-structural Thermo-Kinetic Calculations
Database of ChemKED files for fundamental combustion experiments
Python interface to the ChemKED database format
Utility scripts and functions for use with ab initio and chemical kinetics packages
The Tandem Tool (T3) for automated chemical kinetic model development
A client interface to the QCArchive Project (read-only image of QCFractal)
A distributed compute and database platform for quantum chemistry.
Periodic table, physical constants, and molecule parsing for quantum chemistry.
Quantum chemistry program executor and IO standardizer (QCSchema).
Python version of the amazing Reaction Mechanism Generator (RMG).
alongd / RMG-Py
Forked from ReactionMechanismGenerator/RMG-PyPython version of the amazing Reaction Mechanism Generator (RMG).
The database of chemical parameters used with Reaction Mechanism Generator