luwei0917 / TankBindLinks
Open source code for TankBind. Galixir Tenchnologies
☆170Updated 2 years ago
Alternatives and similar repositories for TankBind
Users that are interested in TankBind are comparing it to the libraries listed below
Sorting:
- Diffusion model based protein-ligand flexible docking method☆115Updated last year
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆119Updated 3 weeks ago
- 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…☆186Updated 3 years ago
- ☆65Updated 6 months ago
- ☆108Updated 2 years ago
- An awesome & curated list of docking papers☆119Updated 9 months ago
- ☆136Updated 5 months ago
- ☆129Updated last year
- 💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)☆200Updated 2 years ago
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆225Updated last year
- ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)☆111Updated 2 years ago
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆134Updated 5 months ago
- ☆144Updated 4 months ago
- open source repository☆143Updated 2 years ago
- Protein-ligand structure prediction☆235Updated 4 months ago
- ☆208Updated last year
- Comprehensive benchmarking of protein-ligand structure prediction methods. (ICML 2024 AI4Science)☆180Updated last month
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆224Updated 2 months ago
- Python3 translation of AutoDockTools☆130Updated last year
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆275Updated last year
- ☆130Updated 3 years ago
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆204Updated 8 months ago
- Masif seed paper repository☆165Updated 2 months ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆99Updated 2 weeks ago
- Geometric deep learning method to predict protein binding interfaces from a protein structure.☆150Updated 2 years ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆159Updated last week
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆122Updated 9 months ago
- A tool for evaluating the predictive performance on activity cliff compounds of machine learning models☆200Updated 10 months ago
- Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing☆88Updated 2 years ago
- Official repository for the Deep Docking protocol☆123Updated 2 years ago