ccsb-scripps / AutoDock-VinaLinks
AutoDock Vina
β819Updated this week
Alternatives and similar repositories for AutoDock-Vina
Users that are interested in AutoDock-Vina are comparing it to the libraries listed below
Sorting:
- AutoDock for GPUs and other acceleratorsβ518Updated 2 weeks ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to π Adasme β¦β591Updated 3 months ago
- A deep learning framework for molecular dockingβ781Updated 2 months ago
- ColabFold on your local PCβ769Updated 3 months ago
- PDBFixer fixes problems in PDB filesβ586Updated 2 weeks ago
- Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and designβ619Updated last year
- Collected scripts for Pymolβ492Updated 2 months ago
- Making Protein Design accessible to all via Google Colab!β822Updated last week
- User friendly and accurate binder design pipelineβ829Updated 2 months ago
- Cloud-based molecular simulations for everyoneβ448Updated last week
- β755Updated 4 months ago
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and dataβ919Updated last week
- Foldseek enables fast and sensitive comparisons of large structure sets.β1,074Updated last month
- Public RFDiffusionAA repoβ441Updated last year
- fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scienβ¦β392Updated last year
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.β689Updated last year
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Dockingβ1,332Updated 5 months ago
- The Rosetta Bio-macromolecule modeling package.β324Updated this week
- AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.β576Updated last month
- AlphaFold2 non-docker setupβ365Updated last year
- gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.β273Updated 3 months ago
- AI-powered ab initio biomolecular dynamics simulationβ544Updated 7 months ago
- β357Updated last year
- Code for the ProteinMPNN paperβ1,469Updated last year
- Practical Cheminformatics Tutorialsβ1,099Updated 3 weeks ago
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithmβ358Updated 3 weeks ago
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.β350Updated last week
- β454Updated 8 months ago
- Remote protein homology detection suite.β594Updated 2 months ago
- A dependency-free cross-platform swiss army knife for PDB files.β431Updated last week