☆114Jul 18, 2025Updated 7 months ago
Alternatives and similar repositories for Interformer
Users that are interested in Interformer are comparing it to the libraries listed below
Sorting:
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆232Sep 29, 2025Updated 5 months ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆286Dec 23, 2025Updated 2 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆61Jan 30, 2026Updated last month
- Topological transformer for protein-ligand complex interaction prediction.☆44Nov 25, 2025Updated 3 months ago
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆324Oct 6, 2025Updated 4 months ago
- All-Atom (Including Hydrogen!) Ligand-Conditioned Protein Sequence Design & Sidechain Packing GNN☆27Feb 18, 2026Updated 2 weeks ago
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆126Dec 8, 2025Updated 2 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆88Oct 6, 2025Updated 4 months ago
- Diffusion model based protein-ligand flexible docking method☆116Oct 30, 2024Updated last year
- ☆21May 24, 2024Updated last year
- Tree-Invent: A novel molecular generative model constrained with topological tree☆13Jul 26, 2023Updated 2 years ago
- ☆82Jan 8, 2024Updated 2 years ago
- This is the first model that can simultaneously predict the RMSD of the ligand docking pose and the binding strength against the target.☆21Jan 4, 2025Updated last year
- PoseX: A Molecular Docking Benchmark☆66Jul 8, 2025Updated 7 months ago
- Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2☆80Dec 6, 2025Updated 2 months ago
- ☆15Jun 3, 2025Updated 9 months ago
- benchmarking AI-powered docking methods from the perspective of virtual screening☆32Dec 26, 2024Updated last year
- Lightweight induced fit docking☆21May 22, 2023Updated 2 years ago
- Use AutoDock for Ligand-based Virtual Screening☆22Aug 18, 2024Updated last year
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆126Sep 3, 2025Updated 6 months ago
- ☆17Feb 2, 2026Updated last month
- Protein-Ligand Binding Affinity Prediction with GNN and Transfer Learning From Protein Language Models☆76Nov 25, 2025Updated 3 months ago
- ☆13Oct 9, 2024Updated last year
- ☆12Jul 5, 2024Updated last year
- Code of "Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model"☆14Jul 8, 2025Updated 7 months ago
- Data and code required to reach the main conclusions of the fastsmcg paper☆10Sep 19, 2023Updated 2 years ago
- ☆18Jul 14, 2024Updated last year
- ☆24Jan 9, 2025Updated last year
- An accurate and trainable end-to-end protein-ligand docking framework☆126Mar 24, 2025Updated 11 months ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆111Aug 13, 2025Updated 6 months ago
- Official Implementation of CompassDock☆21Feb 13, 2026Updated 2 weeks ago
- Benchmarking active learning protocols for ligand binding affinity prediction☆13Feb 4, 2024Updated 2 years ago
- Versatile human antibody sequence design☆22May 27, 2025Updated 9 months ago
- ☆31Aug 28, 2025Updated 6 months ago
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆213Apr 15, 2025Updated 10 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆47Jan 28, 2026Updated last month
- ☆26Mar 15, 2024Updated last year
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking☆1,440May 2, 2025Updated 10 months ago
- ☆134Aug 8, 2024Updated last year