Other TorchANI: A Free and Open Source PyTorch Based Deep Learning Implementation of the ANI Neural Network Potentials. June 22, 2020
Computational Chemistry | Drug Development Extending the applicability of the ANI deep learning molecular potential to Sulfur and Halogens. June 16, 2020
Chemistry | Computer Science | Materials Science Less is more: Sampling chemical space with active learning. July 1, 2018