vsomnath / holoprot
Multi-Scale Representation Learning on Proteins (NeurIPS 2021)
☆46Updated last year
Alternatives and similar repositories for holoprot:
Users that are interested in holoprot are comparing it to the libraries listed below
- Geometry Deep Learning for Drug Discovery and Life Science☆67Updated last year
- Sequence-Structure-Surface Model for Protein Fitness Prediction (S3F)☆32Updated 5 months ago
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆47Updated 3 years ago
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆57Updated 10 months ago
- ☆87Updated 6 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆44Updated 3 months ago
- ☆106Updated 2 years ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆38Updated last year
- This repository implements Gibbs sampling with Graph-based Smoothing☆38Updated 11 months ago
- Reaction-Conditioned Virtual Screening of Enzymes☆34Updated 3 weeks ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆45Updated last year
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆83Updated last year
- ☆21Updated 3 years ago
- ☆38Updated last year
- Diffusion model based protein-ligand flexible docking method☆104Updated 6 months ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆30Updated 7 months ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆37Updated last week
- BioLiP2 database curation and web interface☆25Updated 2 months ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆66Updated last year
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- Fragment-based Molecular Expansion☆20Updated last year
- Antibody-Antigen Docking and Affinity Benchmark☆71Updated 4 years ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Updated last year
- Official repository of ReactZyme☆30Updated 6 months ago
- ☆38Updated last year
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆63Updated 4 months ago
- The Enhanced Database of Interacting Protein Structures for Interface Prediction☆48Updated last year
- ☆65Updated last year
- Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.☆58Updated last year