Alternatives and similar repositories for ML_projects

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

• isidroc / RDkitTutorial
  Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive…
  ☆14Updated 10 years ago
• mabdelmaksoud53 / Colab_NAMD_Suite
  Welcome to Colab_NAMD_suit, your gateway to running MD simulations!
  ☆14Updated 10 months ago
• volkamerlab / ai_in_medicine
  ☆36Updated 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
  ☆17Updated 6 years ago
• Muzatheking12 / MzDOCK
  MzDOCK - An Automated GUI based pipeline for Molecular Docking
  ☆17Updated 3 months ago
• ikmckenz / adme-pred-py
  Python implementation of common ADME properties.
  ☆34Updated 2 years ago
• EBjerrum / molvecgen
  Molecular vectorization and batch generation
  ☆52Updated 4 years ago
• MunibaFaiza / cheminformatics
  Perform operations on chemical structures using Python.
  ☆13Updated 2 years ago
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆33Updated last year
• XinhaoLi74 / MolPMoFiT
  ☆46Updated 2 years ago
• AlzbetaTuerkova / Drug-Repurposing-in-KNIME
  An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data
  ☆14Updated 4 years ago
• Novartis / pqsar2cpd
  pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.
  ☆30Updated last year
• XinhaoLi74 / Hierarchical-QSAR-Modeling
  ☆31Updated 5 years ago
• bbyun28 / QSAR-DrugDiscovery-with-RDkit
  ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model
  ☆13Updated 4 years ago
• jamesgleave / Deep-Docking-NonAutomated
  ☆51Updated 2 years ago
• isidroc / bioalerts
  Derivation of structural alerts from bioactivity data sets
  ☆30Updated 9 years ago
• mokarrom / mpi-vina
  An MPI based parallel implementation of Autodock Vina
  ☆16Updated 5 years ago
• paiardin / DockingPie
  A Consensus Docking Plugin for PyMOL
  ☆72Updated 11 months ago
• aretasg / dockit
  High-throughput molecular docking with multiple targets and ligands using Vina series engines
  ☆31Updated 4 years ago
• chupvl / awesome-ls-ventures
  Awesome list of the data and AI/ML related projects with direct Life Science Companies participation
  ☆34Updated 8 months ago
• Valdes-Tresanco-MS / AMDock
  (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆68Updated last year
• opensourceantibiotics / murligase
  Everything to do with the Mur Ligase Project
  ☆28Updated 2 months ago
• sdecesco / targetDB
  TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…
  ☆32Updated 10 months ago
• JanainaCruz / DeepVS
  Boosting Docking-Based Virtual Screening with Deep Learning
  ☆32Updated 5 years ago
• pgniewko / solubility
  My (small) research project in solubility of drug-like molecules
  ☆18Updated 4 years ago
• haddocking / haddock-tools
  Set of useful HADDOCK utility scripts
  ☆51Updated 8 months ago
• cansyl / MDeePred
  Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery
  ☆27Updated 4 years ago
• openkinome / kinodata
  Collection of scripts / notebooks to reliably select datasets
  ☆28Updated last year
• fimrie / DeLinker
  ☆38Updated 4 years ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆67Updated 10 months ago