jiaor17's repositories
DiffCSP-PP
[ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"
iSOA_DormLabPlus
Citation Network Analysis for SOA project
ChIRo
Public Implementation of ChIRo from "Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations"
CSPML
Original implementation of CSPML
diffab
✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)
DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
FTCP
FTCP code
GeoDiff
Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).
GitTutorial
A Simple Git Tutorial
jiaor17.github.io
Rui Jiao's Homepage
MAT
The official implementation of the Molecule Attention Transformer.
riemannian-score-sde
Score-based generative models for compact manifolds