chaninlab / estrogen-receptor-alpha-qsarLinks
Repository of codes and data for Estrogen Receptor Alpha QSAR modeling
☆18Updated 7 years ago
Alternatives and similar repositories for estrogen-receptor-alpha-qsar
Users that are interested in estrogen-receptor-alpha-qsar are comparing it to the libraries listed below
Sorting:
- Tools for molecular Docking☆27Updated 3 months ago
- Welcome to Colab_NAMD_suit, your gateway to running MD simulations!☆16Updated last year
- ☆37Updated 3 years ago
- MD pharmacophores and virtual screening☆34Updated last year
- Compilation of chemoinformatics and machine learning techniques☆60Updated 4 months ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆15Updated last year
- (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆67Updated 3 years ago
- Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆26Updated 3 weeks ago
- Ligand-Protein Interaction Mapping☆65Updated 6 months ago
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆76Updated 7 months ago
- A Consensus Docking Plugin for PyMOL☆78Updated last year
- Tutorial for the Teach-Discover-Treat (TDT) Competition 2014 - Challenge 1: Anti-Malaria hit finding using classifier-fusion boosted pred…☆24Updated 7 years ago
- LABODOCK: A Colab-Based Molecular Docking Tools☆50Updated 9 months ago
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆21Updated 3 years ago
- Machine learning model for predicting Human Oral Bioavailability☆13Updated 3 years ago
- In process work on active learning tutorials☆10Updated last year
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆24Updated 3 years ago
- Molecular Dynamics on Google Compute Engine, Colab, AWS (Amazon Web Services) and other Cloud Computing services☆23Updated last month
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆75Updated last year
- ☆52Updated 2 years ago
- ☆18Updated 2 years ago
- ☆20Updated last year
- ASGARD is a tool that allows via an automated MD workflow to perform MD protein or protein-ligand complex analysis and to generate the co…☆18Updated last year
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆74Updated 2 years ago
- Going through a setting up a basic cheminformatics pipeline for the target EGFR☆19Updated 7 months ago
- High-throughput molecular docking with multiple targets and ligands using Vina series engines☆33Updated 5 years ago
- PyMOL Plugin for displaying polar contacts☆17Updated 6 years ago
- COCONUT (COlleCtion of Open Natural prodUcTs): A comprehensive platform facilitating natural product research by providing data, tools, a…☆42Updated this week
- ☆22Updated 2 years ago
- Code to accompany "Practical Cheminformatics With Open Source Software"☆16Updated 3 years ago