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:
- ☆30Updated 4 years ago
- This repository includes the slides and the practicals for the course of Structural Bioinformatics of the MBB/QB degrees at the Universit…☆70Updated 2 months ago
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆68Updated 2 months ago
- Set of useful HADDOCK utility scripts☆52Updated 9 months ago
- LABODOCK: A Colab-Based Molecular Docking Tools☆47Updated 4 months ago
- Interactive Python notebooks for PDBe API training☆53Updated 2 weeks ago
- Welcome to Colab_NAMD_suit, your gateway to running MD simulations!☆14Updated 11 months ago
- Notebooks and environment set up for IQB 2024 workshop - Python for Molecular Docking☆66Updated 5 months ago
- ☆48Updated 2 years ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆26Updated 3 years ago
- ☆49Updated 2 months ago
- Set of Python scripts designed to be a dependency-free cross-platform swiss army knife for PDB files.☆26Updated 2 years ago
- Machine learning model for predicting Human Oral Bioavailability☆13Updated 3 years ago
- AlphaFold-initiated replica exchange protein docking☆83Updated 2 weeks ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆26Updated 2 years ago
- Repository for the HackBio'2021 Internship for Team Drug-Development-A☆12Updated 3 years ago
- Compilation of chemoinformatics and machine learning techniques☆59Updated last year
- PyMOL extension to color AlphaFold structures by confidence (pLDDT).☆99Updated 10 months ago
- Run AlphaFold2 (and multimer) step by step☆36Updated 3 years ago
- A software package for computing features of peptides and proteins☆60Updated last year
- an integrated tool for molecular docking and virtual screening☆66Updated 8 months ago
- ☆30Updated 3 weeks ago
- Cloud-based molecular docking for everyone☆11Updated 11 months ago
- (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆66Updated 2 years ago
- ☆19Updated last year
- A Consensus Docking Plugin for PyMOL☆73Updated 11 months ago
- A Python implementation for training a neural network for predicting drug-protein interactions using Keras and Tensorflow☆17Updated 6 years ago
- ☆39Updated last year
- A free and collaborative space for Machine Learning 🤖 applied to Biology 🧬☆36Updated 9 months ago
- Tutorials and examples for nicer animations (movies) and images in PyMOL.☆21Updated 10 years ago