Pinned Repositories
iSeroSnFR
Code associated with
targetdiff
The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
UserGuide
User Guide for MDAnalysis
allegro
Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials
FLAG
Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
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