bowen-gao / DrugCLIPLinks
[NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
☆154Updated last week
Alternatives and similar repositories for DrugCLIP
Users that are interested in DrugCLIP are comparing it to the libraries listed below
Sorting:
- An awesome & curated list of docking papers☆121Updated 2 weeks ago
- ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)☆111Updated 2 years ago
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆123Updated last month
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆124Updated 10 months ago
- ☆145Updated 5 months ago
- Diffusion model based protein-ligand flexible docking method☆116Updated last year
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆163Updated last month
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆205Updated 9 months ago
- ☆131Updated last year
- Open source code for TankBind. Galixir Tenchnologies☆172Updated 2 years ago
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆77Updated 2 years ago
- 🧬 Advanced hybrid language model for directed protein evolution. (NeurIPS 2024)☆144Updated 7 months ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆102Updated 2 weeks ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆228Updated 3 months ago
- ☆108Updated 2 years ago
- ☆96Updated last year
- ☆81Updated 2 years ago
- ☆137Updated 7 months ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆107Updated 5 months ago
- A hybrid pipeline to screen compounds with DrugCLIP and Schrodinger☆29Updated last year
- 3D_Molecular_Generation☆103Updated last year
- Papers about Structure-based Drug Design (SBDD)☆138Updated 4 months ago
- my own studied materials and scripts☆58Updated last week
- ☆212Updated last year
- Masif seed paper repository☆169Updated 3 months ago
- ☆65Updated 7 months ago
- Geometry Deep Learning for Drug Discovery and Life Science☆71Updated last year
- ☆77Updated 11 months ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆40Updated last year
- Official repository for MolCRAFT series☆136Updated 2 months ago