Open source code for TankBind. Galixir Tenchnologies
☆173Nov 1, 2023Updated 2 years ago
Alternatives and similar repositories for TankBind
Users that are interested in TankBind are comparing it to the libraries listed below
Sorting:
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆536Feb 19, 2025Updated last year
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆138Jul 16, 2025Updated 7 months ago
- ☆113Apr 17, 2023Updated 2 years ago
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking☆1,440May 2, 2025Updated 9 months ago
- ☆133Aug 8, 2024Updated last year
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆283Dec 23, 2025Updated 2 months ago
- Diffusion model based protein-ligand flexible docking method☆116Oct 30, 2024Updated last year
- Code related to : O. Mendez-Lucio, M. Ahmad, E.A. del Rio-Chanona, J.K. Wegner, A Geometric Deep Learning Approach to Predict Binding Co…☆186Feb 7, 2022Updated 4 years ago
- ☆32Mar 19, 2023Updated 2 years ago
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆111Jul 20, 2023Updated 2 years ago
- Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure☆318Nov 15, 2025Updated 3 months ago
- Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure☆163May 1, 2021Updated 4 years 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
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Jun 21, 2023Updated 2 years ago
- 💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)☆201Feb 12, 2023Updated 3 years ago
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆384Nov 16, 2023Updated 2 years ago
- EquiDock: geometric deep learning for fast rigid 3D protein-protein docking☆255Sep 22, 2023Updated 2 years ago
- ATOM3D: tasks on molecules in three dimensions☆318Mar 2, 2023Updated 2 years ago
- Official Repository for the Uni-Mol Series Methods☆1,060May 29, 2025Updated 9 months ago
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆324Oct 6, 2025Updated 4 months ago
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆393Updated this week
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆229Dec 29, 2023Updated 2 years ago
- ☆28Aug 20, 2022Updated 3 years ago
- ☆166Mar 14, 2024Updated last year
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆35Aug 17, 2023Updated 2 years ago
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆49Jan 24, 2022Updated 4 years ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆43Jan 22, 2024Updated 2 years ago
- ☆63Oct 25, 2022Updated 3 years ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆648Oct 30, 2025Updated 4 months ago
- Trained caffe models☆97Sep 18, 2023Updated 2 years ago
- ☆65Jun 14, 2025Updated 8 months ago
- Plausibility checks for generated molecule poses.☆355Feb 9, 2026Updated 2 weeks ago
- code for the SE3 Transformers paper: https://arxiv.org/abs/2006.10503☆568Jul 10, 2023Updated 2 years ago
- [ICLR 2023] One Transformer Can Understand Both 2D & 3D Molecular Data (official implementation)☆219Mar 31, 2023Updated 2 years ago
- Generative Models for Graph-Based Protein Design☆284Dec 24, 2020Updated 5 years ago
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆369Apr 17, 2024Updated last year
- ☆241May 22, 2023Updated 2 years ago
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆55Feb 27, 2022Updated 4 years ago
- Integrated physics-based and ligand-based modeling.☆70Oct 27, 2025Updated 4 months ago