ikmckenz / adme-pred-pyLinks
Python implementation of common ADME properties.
☆36Updated 2 years ago
Alternatives and similar repositories for adme-pred-py
Users that are interested in adme-pred-py are comparing it to the libraries listed below
Sorting:
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆73Updated last year
- ☆51Updated 2 years ago
- pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.☆30Updated 2 years ago
- (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆67Updated 3 years ago
- MD pharmacophores and virtual screening☆33Updated last year
- Protein target prediction using random forests and reliability-density neighbourhood analysis☆41Updated 5 years ago
- A Consensus Docking Plugin for PyMOL☆75Updated last year
- Massively multitask stacked model for predicting activity of thousands of biological assays☆34Updated 4 years ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆52Updated 2 months ago
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆122Updated 2 years ago
- ☆93Updated 6 months ago
- LABODOCK: A Colab-Based Molecular Docking Tools☆48Updated 6 months ago
- Recursion's molecular foundation model☆57Updated 2 months ago
- RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening☆49Updated 6 years ago
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆72Updated 4 months ago
- ☆30Updated last year
- 3D pharmacophore signatures and fingerprints☆107Updated 3 months ago
- Speed virtual screening by 50X☆95Updated 2 years ago
- Compilation of chemoinformatics and machine learning techniques☆59Updated last month
- Python tool for generate fingerprints of a molecule☆82Updated 2 months ago
- ☆33Updated last year
- The code for the QuickVina homepage.☆33Updated 2 years ago
- ☆62Updated 2 years ago
- ☆46Updated 3 years ago
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆32Updated last year
- MzDOCK - An Automated GUI based pipeline for Molecular Docking☆18Updated last month
- DeePred-BBB is a deep Neural network-based model for prediction of blood brain barrier permeability of compounds using Simplified Molecul…☆24Updated 2 years ago
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆79Updated last month
- Set of useful HADDOCK utility scripts☆53Updated 11 months ago
- COCONUT (COlleCtion of Open Natural prodUcTs): A comprehensive platform facilitating natural product research by providing data, tools, a…☆34Updated this week