EnriqueSPR / drug_discovery_projectLinks
A computational drug discovery project, in which bioinformatic and machine learning tools are used to identify possible molecular targets and drug chemical features to treat prostate cancer
☆22Updated 4 years ago
Alternatives and similar repositories for drug_discovery_project
Users that are interested in drug_discovery_project are comparing it to the libraries listed below
Sorting:
- ☆31Updated 4 years ago
- AlphaFold-initiated replica exchange protein docking☆83Updated 3 weeks ago
- Notebooks and environment set up for IQB 2024 workshop - Python for Molecular Docking☆67Updated 5 months ago
- Tutorials, cheat sheets, and other resources for computational methods for protein design.☆113Updated last year
- This repository includes the slides and the practicals for the course of Structural Bioinformatics of the MBB/QB degrees at the Universit…☆71Updated 2 months ago
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆69Updated 2 months ago
- Compilation of chemoinformatics and machine learning techniques☆59Updated last year
- Set of useful HADDOCK utility scripts☆52Updated 9 months ago
- ☆49Updated 2 months ago
- MBINF Introduction to Python Workshop 2024☆24Updated 9 months ago
- A free and collaborative space for Machine Learning 🤖 applied to Biology 🧬☆37Updated 10 months ago
- Download pdb/protein structures using Uniprot id; This script will download related PDB files, extract chains(Optional), remove duplicate…☆41Updated 11 months ago
- Interactive Python notebooks for PDBe API training☆55Updated last week
- A Consensus Docking Plugin for PyMOL☆73Updated last year
- ☆39Updated last year
- ☆31Updated 3 years ago
- PyMOL extension to color AlphaFold structures by confidence (pLDDT).☆103Updated 11 months ago
- ☆19Updated last year
- ☆49Updated 2 years ago
- LABODOCK: A Colab-Based Molecular Docking Tools☆47Updated 4 months ago
- Code for ColabDock paper☆141Updated last month
- Predict the binding affinity of protein-protein complexes from structural data☆137Updated 2 months ago
- TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…☆32Updated 11 months ago
- ☆17Updated 2 years ago
- Machine learning model for predicting Human Oral Bioavailability☆13Updated 3 years ago
- ☆85Updated last year
- a deep learning architecture for protein-ligand binding affinity prediction☆74Updated last year
- scripts and facilities for in-silico mutagenesis with FoldX☆57Updated 6 months ago
- The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…☆77Updated last year
- A Python library for structural cheminformatics☆101Updated last month