OmicsML / awesome-molecule-protein-pretrain-papersLinks
☆40Updated last year
Alternatives and similar repositories for awesome-molecule-protein-pretrain-papers
Users that are interested in awesome-molecule-protein-pretrain-papers are comparing it to the libraries listed below
Sorting:
- ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)☆102Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆67Updated last year
- Geometry Deep Learning for Drug Discovery and Life Science☆70Updated last year
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆110Updated 4 months ago
- Bioinformatics'2022 PerceiverCPI: A nested cross-attention network for compound-protein interaction prediction☆36Updated last year
- Papers about Structure-based Drug Design (SBDD)☆114Updated 6 months ago
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆106Updated last year
- Reaction-Conditioned Virtual Screening of Enzymes☆35Updated 2 weeks ago
- Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.☆60Updated last year
- ☆64Updated last week
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆95Updated last year
- ☆39Updated last week
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆46Updated last year
- Diffusion model based protein-ligand flexible docking method☆106Updated 7 months ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆30Updated 2 years ago
- ☆86Updated 2 years ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆44Updated 5 months ago
- [ICLR2025] Official Implementation of IgGM: A Generative Model for Functional Antibody and Nanobody Design☆73Updated last month
- ☆90Updated 8 months ago
- ☆51Updated 10 months ago
- ☆35Updated 3 weeks ago
- PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"☆51Updated last year
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆26Updated last year
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆31Updated last year
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆39Updated last year
- ☆39Updated last year
- ☆49Updated 4 years ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆48Updated 2 weeks ago
- The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs",…☆78Updated 2 weeks ago
- A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆43Updated 4 months ago