OmicsML / awesome-molecule-protein-pretrain-papers
☆31Updated 8 months ago
Related projects ⓘ
Alternatives and complementary repositories for awesome-molecule-protein-pretrain-papers
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆40Updated last year
- Papers about Structure-based Drug Design (SBDD)☆86Updated 2 weeks ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆61Updated 7 months ago
- ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)☆79Updated last year
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆93Updated 7 months ago
- Geometry Deep Learning for Drug Discovery and Life Science☆58Updated 6 months ago
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆82Updated 5 months ago
- ☆110Updated 3 weeks ago
- ☆60Updated 4 months ago
- ☆43Updated 4 years ago
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆47Updated last year
- PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"☆49Updated last year
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆28Updated 10 months ago
- Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.☆51Updated last year
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆29Updated last year
- ☆75Updated last month
- An awesome & curated list of docking papers☆78Updated this week
- Awesome De novo drugs design papers☆86Updated last year
- Pretrainable geometric graph neural network for antibody affinity maturation☆35Updated 3 months ago
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆111Updated this week
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆69Updated 6 months ago
- Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)☆24Updated 3 weeks ago
- Bioinformatics'2022 PerceiverCPI: A nested cross-attention network for compound-protein interaction prediction☆35Updated last year
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆87Updated last year
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆48Updated 5 months ago
- ☆44Updated 3 months ago
- ☆62Updated 10 months ago
- ☆62Updated last year
- ☆105Updated last year
- ☆126Updated 2 years ago