AIMNet2
Fast and accurate neural network potential for molecular simulations
Active Development
Software
We develop and maintain open-source software tools for computational chemistry, machine learning, and materials science. All our software is freely available on GitHub.
Active Development
Auto3D
Automatic 3D molecular structure generation from SMILES
Active Development
TorchANI
Accurate Neural Network Potentials in PyTorch
Active Development
Open Source Commitment
We believe in open science and open-source software. All our tools are freely available under permissive licenses. Contributions, bug reports, and feature requests are welcome!