pb3lab / ibm3202Links
Google Colab Tutorials for IBM3202
☆274Updated last year
Alternatives and similar repositories for ibm3202
Users that are interested in ibm3202 are comparing it to the libraries listed below
Sorting:
- Cloud-based molecular simulations for everyone☆466Updated 2 months ago
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆274Updated 2 years ago
- A set of tools for manipulating and doing calculations on wwPDB macromolecule structure files☆180Updated 6 years ago
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆380Updated last month
- Let LLM run your MDs.☆244Updated 4 months ago
- Machine Learning in Drug Discovery Resources 2024☆247Updated 8 months ago
- fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scien…☆430Updated 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.☆289Updated last month
- Application to assign secondary structure to proteins☆236Updated last month
- Official repo of the modular BioExcel version of HADDOCK☆216Updated 2 weeks ago
- Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by…☆163Updated 10 months ago
- ☆59Updated 3 years ago
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆372Updated 4 months ago
- Predict the binding affinity of protein-protein complexes from structural data☆167Updated 3 months ago
- Tutorials, cheat sheets, and other resources for computational methods for protein design.☆128Updated 2 years ago
- C-library for calculating Solvent Accessible Surface Areas☆174Updated 2 months ago
- Collected scripts for Pymol☆508Updated 5 months ago
- Predict multiple protein conformations using sequence clustering and AlphaFold2.☆171Updated 3 months ago
- Notebooks and environment set up for IQB 2024 workshop - Python for Molecular Docking☆72Updated last year
- This repository includes the slides and the practicals for the course of Structural Bioinformatics of the MBB/QB degrees at the Universit…☆89Updated last month
- A dependency-free cross-platform swiss army knife for PDB files.☆439Updated 3 months ago
- Software for biomolecular electrostatics and solvation calculations☆122Updated last year
- Set of Python scripts designed to be a dependency-free cross-platform swiss army knife for PDB files.☆26Updated 3 years ago
- Code for ColabDock paper☆151Updated 8 months ago
- PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.☆164Updated last month
- ☆300Updated last week
- Protein-ligand structure prediction☆236Updated 5 months ago
- Interface for AutoDock, molecule parameterization☆328Updated last week
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆329Updated last year
- DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models☆354Updated 2 months ago