pablo-arantes / making-it-rainLinks
Cloud-based molecular simulations for everyone
☆470Updated 3 weeks ago
Alternatives and similar repositories for making-it-rain
Users that are interested in making-it-rain are comparing it to the libraries listed below
Sorting:
- PDBFixer fixes problems in PDB files☆617Updated 3 months ago
- fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scien…☆440Updated last year
- Interaction Fingerprints for protein-ligand complexes and more☆474Updated last week
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆275Updated 2 years ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆644Updated 3 months ago
- Google Colab Tutorials for IBM3202☆275Updated 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.☆292Updated 2 months ago
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆334Updated 2 weeks ago
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆386Updated last week
- Collected scripts for Pymol☆509Updated 6 months ago
- Interface for AutoDock, molecule parameterization☆335Updated last week
- A deep learning framework for molecular docking☆855Updated last month
- AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.☆676Updated 3 weeks ago
- Public RFDiffusionAA repo☆463Updated last year
- Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design☆658Updated this week
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆322Updated 4 months ago
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆959Updated last week
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆348Updated last month
- Let LLM run your MDs.☆245Updated 4 months ago
- DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models☆364Updated 3 months ago
- A dependency-free cross-platform swiss army knife for PDB files.☆440Updated last week
- Machine Learning in Drug Discovery Resources 2024☆252Updated 9 months ago
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆378Updated 4 months ago
- Tutorials to learn how to work with the RDKit☆304Updated 2 years ago
- Plausibility checks for generated molecule poses.☆354Updated this week
- A Python API for the RCSB Protein Data Bank (PDB)☆334Updated 8 months ago
- ChatMol☆244Updated 2 months ago
- AutoDock for GPUs and other accelerators☆559Updated last month
- The Rosetta Bio-macromolecule modeling package.☆378Updated this week
- A Python Package for Protein Dynamics Analysis☆526Updated this week