ccsb-scripps / AutoDock-VinaLinks
AutoDock Vina
β868Updated 2 months ago
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 acceleratorsβ543Updated 2 months ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to π Schake,β¦β617Updated last month
- A deep learning framework for molecular dockingβ809Updated last month
- PDBFixer fixes problems in PDB filesβ608Updated last month
- ColabFold on your local PCβ797Updated 5 months ago
- Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and designβ639Updated last year
- Collected scripts for Pymolβ502Updated 4 months ago
- Making Protein Design accessible to all via Google Colab!β850Updated this week
- User friendly and accurate binder design pipelineβ943Updated 4 months ago
- β773Updated 6 months ago
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and dataβ940Updated this week
- Cloud-based molecular simulations for everyoneβ460Updated last month
- Public RFDiffusionAA repoβ455Updated last year
- fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scienβ¦β421Updated last year
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Dockingβ1,386Updated 7 months ago
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.β707Updated last year
- AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.β633Updated 2 weeks ago
- The Rosetta Bio-macromolecule modeling package.β353Updated last week
- AI-powered ab initio biomolecular dynamics simulationβ556Updated 9 months ago
- gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.β287Updated last week
- A dependency-free cross-platform swiss army knife for PDB files.β435Updated 2 months ago
- Foldseek enables fast and sensitive comparisons of large structure sets.β1,122Updated 3 weeks ago
- β499Updated 10 months ago
- β371Updated last year
- Official Python client for accessing ChEMBL APIβ427Updated 10 months ago
- AlphaFold2 non-docker setupβ369Updated 2 years ago
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.β370Updated this week
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithmβ367Updated 2 months ago
- A comprehensive library for computational molecular biologyβ894Updated this week
- A Python Package for Protein Dynamics Analysisβ517Updated last week