Wang-Lin-boop / OuroborosLinks
An official implementation of "Directed Chemical Evolution via Navigating Molecular Encoding Space.", which is a foundational model to bridge the gap between representation learning and generative AI models in drug discovery.
☆25Updated last week
Alternatives and similar repositories for Ouroboros
Users that are interested in Ouroboros are comparing it to the libraries listed below
Sorting:
- A universal structure-directed lead optimization☆65Updated 10 months ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆66Updated 6 months ago
- my own studied materials and scripts☆58Updated last week
- ☆132Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆104Updated 3 weeks ago
- ☆75Updated 2 years ago
- 3D_Molecular_Generation☆105Updated last year
- Token-Mol 1.0：tokenized drug design with large language model☆61Updated last month
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆165Updated last month
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆178Updated this week
- ☆27Updated last year
- ☆43Updated 6 months ago
- Official implementation of SketchMol.☆31Updated 11 months ago
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- ☆61Updated 6 months ago
- ☆145Updated 5 months ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆109Updated 5 months ago
- design pipeline for protein, nucleic acid, and small molecule☆30Updated last week
- Diffusion model based protein-ligand flexible docking method☆116Updated last year
- ☆82Updated 2 years ago
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆70Updated last year
- a multi-property optimization method.☆32Updated last year
- ☆40Updated last year
- ☆63Updated 2 months ago
- ☆112Updated 2 years ago
- De novo drug design with deep interactome learning☆41Updated 7 months ago
- A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature☆68Updated 3 weeks ago
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆63Updated 7 months ago
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆85Updated 6 months ago
- ☆60Updated 2 years ago