Mickdub / gvpLinks
☆89Updated last year
Alternatives and similar repositories for gvp
Users that are interested in gvp are comparing it to the libraries listed below
Sorting:
- Diffusion model based protein-ligand flexible docking method☆117Updated last year
- ☆70Updated last year
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆111Updated 5 months ago
- ☆80Updated last year
- ☆82Updated 2 years ago
- Simple protein-ligand complex simulation with OpenMM☆91Updated 2 years ago
- ☆42Updated last year
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆52Updated 2 months ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆47Updated 2 months 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
- Integrated physics-based and ligand-based modeling.☆69Updated 3 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆87Updated 4 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆55Updated 2 years ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆69Updated 3 months ago
- ☆96Updated last year
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆73Updated 11 months ago
- ☆44Updated 6 months ago
- A benchmark for 3D biomolecular structure prediction models☆69Updated 9 months ago
- ☆61Updated 6 months ago
- Benchmarking code accompanying the release of `bioemu`☆54Updated 2 months ago
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆69Updated last year
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆165Updated 2 months ago
- Sidechain conditioning and modeling for full-atom protein sequence design☆133Updated 3 months ago
- Convert coarse-grained protein structure to all-atom model☆50Updated 8 months ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆88Updated last week
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆87Updated 6 months ago
- Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.☆98Updated last year
- Evaluating Protein Binding Interfaces with Transformer Networks☆47Updated 2 years ago
- ☆62Updated 2 years ago
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆108Updated 2 weeks ago