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Deep generative modeling of protein structural ensembles
This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user examples are also available.
Inference code for scalable emulation of protein equilibrium ensembles with generative deep learning
Implementation of Denoising Diffusion Probabilistic Model in Pytorch
[ICLR 2023] "HotProtein: A Novel Framework for Protein Thermostability Prediction and Editing" by Tianlong Chen*, Chengyue Gong*, Daniel Jesus Diaz, Xuxi Chen, Jordan Tyler Wells, Qiang Liu, Zhangy…
AlphaFold 3 inference pipeline.
A comprehensive library for computational molecular biology
Open-source foundation of the user-sponsored PyMOL molecular visualization system.