Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.
最近更新: 23小时前core native components in Katalyst system, including multiple agents and centralized components
最近更新: 2天前A fast JSON serializing & deserializing library, accelerated by SIMD.
最近更新: 2天前This repo contains the code for our paper An Image is Worth 32 Tokens for Reconstruction and Generation
最近更新: 2天前Official Implemetation of ConfDiff (ICML'24) - Protein Conformation Generation via Force-Guided SE(3) Diffusion Models
最近更新: 2天前core api for Katalyst, including crd, clientSet, informer, pd, general const variables and utils
最近更新: 3天前
