Alternatives and similar repositories for ML_projects

Users that are interested in ML_projects are comparing it to the libraries listed below

• ikmckenz / adme-pred-py
  Python implementation of common ADME properties.
  ☆37Updated 2 years ago
• haddocking / haddock-tools
  Set of useful HADDOCK utility scripts
  ☆55Updated 2 months ago
• EnriqueSPR / drug_discovery_project
  A computational drug discovery project, in which bioinformatic and machine learning tools are used to identify possible molecular targets…
  ☆23Updated 4 years ago
• cansyl / MDeePred
  Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery
  ☆28Updated 4 years ago
• Novartis / pqsar2cpd
  pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.
  ☆30Updated 2 years ago
• jamesgleave / Deep-Docking-NonAutomated
  ☆52Updated 2 years ago
• sirimullalab / DLSCORE
  DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity
  ☆48Updated 2 years ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆75Updated last year
• MunibaFaiza / cheminformatics
  Perform operations on chemical structures using Python.
  ☆13Updated 2 years ago
• vibudh2209 / D2
  Speed virtual screening by 50X
  ☆96Updated 2 years ago
• XinhaoLi74 / MolPMoFiT
  ☆45Updated 3 years ago
• Jhird / Deep-Learning-For-Drug-Protein-Interactions
  A Python implementation for training a neural network for predicting drug-protein interactions using Keras and Tensorflow
  ☆18Updated 7 years ago
• mabdelmaksoud53 / Colab_NAMD_Suite
  Welcome to Colab_NAMD_suit, your gateway to running MD simulations!
  ☆16Updated last year
• volkamerlab / ai_in_medicine
  ☆37Updated 3 years ago
• paiardin / DockingPie
  A Consensus Docking Plugin for PyMOL
  ☆78Updated last year
• Accio / AMIDD
  Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)
  ☆32Updated this week
• Aouidate / Chemoinformatics-tutos
  Compilation of chemoinformatics and machine learning techniques
  ☆60Updated 4 months ago
• AlzbetaTuerkova / Drug-Repurposing-in-KNIME
  An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data
  ☆15Updated 5 years ago
• volkamerlab / opencadd
  A Python library for structural cheminformatics
  ☆103Updated 6 months ago
• alexarnimueller / LSTM_peptides
  Long short-term memory recurrent neural networks for learning peptide and protein sequences to later design new, similar examples.
  ☆77Updated 2 years ago
• PDBeurope / pdbe-api-training
  Interactive Python notebooks for PDBe API training
  ☆57Updated last month
• sirimullalab / openDMPK
  Open Drug Metabolism & PharmacoKinetics (OpenDMPK) is an open source data resource and toolkit for predicting drug metabolism and pharmac…
  ☆26Updated 3 years ago
• oxpig / Paragraph
  Antibody paratope prediction using Graph Neural Networks with minimal feature vectors
  ☆37Updated 2 years ago
• FangpingWan / DeepCPI
  ☆17Updated 5 years ago
• cansyl / DEEPScreen
  DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images
  ☆114Updated last year
• Sbolivar16 / MolecularDocking
  Tools for molecular Docking
  ☆27Updated 3 months ago
• Graylab / AlphaRED
  AlphaFold-initiated replica exchange protein docking
  ☆84Updated 5 months ago
• pulimeng / DeepDrug3D
  A convolutional neural network for classifying binding pockets based on spatial and chemical information extracted from the pockets.
  ☆105Updated 4 years ago
• isidroc / bioalerts
  Derivation of structural alerts from bioactivity data sets
  ☆30Updated 9 years ago
• rochoa85 / PepFun
  Bioinformatics and Cheminformatics protocols for peptide analysis
  ☆43Updated 2 years ago