pkumarpl / ML_projectsLinks
Machine Learning Projects
☆24Updated 5 years ago
Alternatives and similar repositories for ML_projects
Users that are interested in ML_projects are comparing it to the libraries listed below
Sorting:
- Python implementation of common ADME properties.☆37Updated 2 years ago
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆28Updated 4 years ago
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)☆32Updated this week
- pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.☆30Updated 2 years ago
- A Python implementation for training a neural network for predicting drug-protein interactions using Keras and Tensorflow☆18Updated 7 years ago
- A computational drug discovery project, in which bioinformatic and machine learning tools are used to identify possible molecular targets…☆23Updated 4 years ago
- Boosting Docking-Based Virtual Screening with Deep Learning☆32Updated 5 years ago
- DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images☆114Updated last year
- Perform operations on chemical structures using Python.☆13Updated 2 years ago
- Speed virtual screening by 50X☆96Updated 2 years ago
- ☆37Updated 3 years ago
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆75Updated last year
- LABODOCK: A Colab-Based Molecular Docking Tools☆50Updated 8 months ago
- Tools for molecular Docking☆27Updated 3 months ago
- ☆45Updated 3 years ago
- DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity☆48Updated 2 years ago
- ☆31Updated 5 years ago
- Set of useful HADDOCK utility scripts☆55Updated last month
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆15Updated 5 years ago
- Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive…☆14Updated 11 years ago
- Welcome to Colab_NAMD_suit, your gateway to running MD simulations!☆16Updated last year
- ☆52Updated 2 years ago
- Automated framework for the curation of chemogenomics data and to develop QSAR models for virtual screening using the open-source KNIME s…☆23Updated 5 years ago
- MD pharmacophores and virtual screening☆33Updated last year
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆73Updated 2 years ago
- A Python package for extracting protein sequence features☆63Updated 3 years ago
- A Python library for structural cheminformatics☆103Updated 6 months ago
- Open Drug Metabolism & PharmacoKinetics (OpenDMPK) is an open source data resource and toolkit for predicting drug metabolism and pharmac…☆26Updated 3 years ago
- PyMOL Plugin for displaying polar contacts☆17Updated 6 years ago
- MzDOCK - An Automated GUI based pipeline for Molecular Docking☆21Updated last month