SigmaGenX / TamGenLinks
☆38Updated 3 months ago
Alternatives and similar repositories for TamGen
Users that are interested in TamGen are comparing it to the libraries listed below
Sorting:
- PoseX: A Molecular Docking Benchmark☆49Updated 2 months ago
- ☆39Updated 5 months ago
- Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design☆20Updated 2 years ago
- ☆27Updated 11 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 11 months ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆27Updated 5 months ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆26Updated last year
- scripts to find PBD structures for cancer driver proteins☆31Updated 6 months ago
- ☆36Updated 2 months ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆29Updated last year
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- ☆20Updated 2 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆41Updated last year
- ☆28Updated 3 years ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆74Updated 3 weeks ago
- Reaction-Conditioned Virtual Screening of Enzymes☆35Updated 3 months ago
- ☆28Updated 2 years ago
- Atom-in-SMILES tokenizer for SMILES strings.☆39Updated last year
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆77Updated 2 weeks ago
- Code of “Multi-Modal Deep Learning Enables Ultrafast and Accurate Annotation of Enzymatic Active Sites”☆40Updated 6 months ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆15Updated 8 months ago
- ☆77Updated last year
- ☆46Updated 5 months ago
- ☆32Updated 2 years ago
- ☆30Updated 3 weeks ago
- Fragment-based Molecular Expansion☆20Updated last year
- ☆26Updated 11 months ago