OmicsML / awesome-molecule-protein-pretrain-papersLinks
☆43Updated 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:
- [Briefings in Bioinformatics] A Survey of Generative AI for de novo Drug Design☆89Updated 9 months ago
- Geometry Deep Learning for Drug Discovery and Life Science☆71Updated last year
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆104Updated last year
- ☆52Updated last year
- S-PLM: Structure-aware Protein Language Model via Contrastive Learning between Sequence and Structure☆68Updated 2 months ago
- ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)☆109Updated last year
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆114Updated last year
- A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆46Updated last month
- An awesome & curated list of docking papers☆114Updated 6 months ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆32Updated 2 years ago
- SELFormer: Molecular Representation Learning via SELFIES Language Models☆98Updated 9 months ago
- a deep learning architecture for protein-ligand binding affinity prediction☆76Updated last year
- Papers about Structure-based Drug Design (SBDD)☆124Updated 2 weeks ago
- Graph Network for protein-protein interface☆120Updated last year
- ☆202Updated 11 months ago
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆118Updated 6 months ago
- Dataset and package for working with protein-protein interactions in 3D☆96Updated 4 months ago
- Bioinformatics'2022 PerceiverCPI: A nested cross-attention network for compound-protein interaction prediction☆36Updated last year
- Interpretable bilinear attention network with domain adaptation improves drug-target prediction.☆127Updated 2 years ago
- a novel DTA predition method using graph neural network☆74Updated 2 years ago
- Official Implementation of IgGM☆82Updated 3 weeks ago
- Generative Language Modeling for Antibody Design☆163Updated 11 months ago
- ☆86Updated 3 years ago
- ☆53Updated last year
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆144Updated this week
- ☆139Updated last month
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆69Updated last year
- ☆51Updated 4 years ago
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆32Updated last year
- open source repository☆141Updated last year