ccsb-scripps / AutoDock-GPULinks
AutoDock for GPUs and other accelerators
β539Updated 2 months ago
Alternatives and similar repositories for AutoDock-GPU
Users that are interested in AutoDock-GPU are comparing it to the libraries listed below
Sorting:
- AutoDock Vinaβ863Updated 2 months ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to π Schake,β¦β615Updated last month
- PDBFixer fixes problems in PDB filesβ605Updated last month
- A deep learning framework for molecular dockingβ807Updated last month
- Collected scripts for Pymolβ502Updated 4 months ago
- Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and designβ633Updated last year
- fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scienβ¦β419Updated last year
- Cloud-based molecular simulations for everyoneβ459Updated last month
- The Rosetta Bio-macromolecule modeling package.β353Updated this week
- A dependency-free cross-platform swiss army knife for PDB files.β435Updated 2 months ago
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithmβ367Updated 2 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.β285Updated last month
- Interface for AutoDock, molecule parameterizationβ313Updated this week
- AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.β625Updated last week
- ColabFold on your local PCβ787Updated 5 months ago
- Application to assign secondary structure to proteinsβ228Updated last week
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.β366Updated 2 months ago
- Interaction Fingerprints for protein-ligand complexes and moreβ455Updated last week
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.β324Updated last year
- DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Modelsβ345Updated last month
- Public RFDiffusionAA repoβ455Updated last year
- AlphaFold2 non-docker setupβ368Updated 2 years ago
- User friendly and accurate binder design pipelineβ929Updated 3 months ago
- A Python Package for Protein Dynamics Analysisβ515Updated last week
- Uni-Dock: a GPU-accelerated molecular docking programβ263Updated 2 weeks ago
- β773Updated 6 months ago
- Making Protein Design accessible to all via Google Colab!β848Updated last month
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and dataβ936Updated 2 weeks ago
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting fβ¦β273Updated 2 years ago
- Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodiesβ391Updated 2 years ago