HySonLab / Protein_Pretrain
Multimodal Pretraining for Unsupervised Protein Representation Learning
☆22Updated 8 months ago
Alternatives and similar repositories for Protein_Pretrain:
Users that are interested in Protein_Pretrain are comparing it to the libraries listed below
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆30Updated 6 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆45Updated 2 months ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆63Updated 11 months ago
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆47Updated last year
- 3D equivariant graph transformer for all-atom refinement of protein tertiary structures☆25Updated last year
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆31Updated last year
- Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model (NeurIPS 2023 Poster)☆34Updated last year
- ☆23Updated 2 weeks ago
- ☆20Updated 2 years ago
- Geometry Deep Learning for Drug Discovery and Life Science☆66Updated 11 months ago
- ☆31Updated 4 months ago
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆57Updated 10 months ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Updated last year
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆46Updated last year
- Code for our Nature Scientific Reports paper "A universal framework for accurate and efficient geometric deep learning of molecular syste…☆67Updated 5 months ago
- Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)☆56Updated 3 weeks ago
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆82Updated 11 months ago
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆57Updated 9 months ago
- ☆38Updated last year
- Reaction-Conditioned Virtual Screening of Enzymes☆32Updated 4 months ago
- ☆38Updated last year
- ☆39Updated 2 years ago
- A Text-guided Protein Design Framework, Nat Mach Intell 2025☆63Updated 2 months ago
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆61Updated 4 months ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆32Updated last year
- Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)☆65Updated 5 months ago
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆48Updated 3 years ago
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆41Updated last year
- ☆52Updated 2 years ago
- Bib'23: Improved the Heterodimer Protein Complex Prediction with Protein Language Models☆15Updated last year