Alternatives and similar repositories for mychembl

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

• eloyfelix / blog_notebooks
  blogpost notebooks
  ☆20Updated 5 years ago
• flatkinson / standardiser
  Molecular standardisation tool
  ☆77Updated 5 years ago
• chembl / surechembl-data-client
  A collection of scripts for retrieving, storing, and querying SureChEMBL data.
  ☆41Updated last year
• gorgitko / molminer
  Python library and command-line tool for extracting compounds from scientific literature. Written in Python.
  ☆47Updated 5 years ago
• wenhao-gao / askcos_synthesizability
  ☆28Updated 3 years ago
• ml-jku / lsc
  Large-scale comparison of machine learning methods for drug target prediction on ChEMBL
  ☆35Updated 5 years ago
• chembience / chembience
  A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
  ☆46Updated 7 months ago
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆63Updated 5 years ago
• Merck / DeepNeuralNet-QSAR
  ☆65Updated 7 years ago
• asad / ReactionDecoder
  Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool
  ☆79Updated 4 years ago
• InformaticsMatters / pipelines
  Containerised components for cheminformatics and computational chemistry
  ☆36Updated 2 years ago
• schrodinger / schrodingerdeepchem
  Deep-learning models for Drug Discovery and Quantum Chemistry
  ☆28Updated 8 years ago
• bigchem / retrosynthesis
  Applying deep neural networks for retrosynthesis tasks
  ☆37Updated 5 years ago
• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆46Updated 7 years ago
• DrrDom / spci
  Tool for mining structure-property relationships from chemical datasets
  ☆16Updated last week
• XinhaoLi74 / MolPMoFiT
  ☆45Updated 3 years ago
• rdkit / UGM_2019
  ☆16Updated 6 years ago
• rdkit / conda-rdkit
  Conda build recipe for the rdkit
  ☆51Updated 4 years ago
• iwatobipen / chemo_info
  ☆32Updated 9 months ago
• rdkit / CheTo
  CheTo - Chemical Topic Modeling
  ☆33Updated 4 years ago
• XericZephyr / seq2seq-fingerprint
  Official Implementation for "Seq2seq Fingerprint: An Unsupervised Deep Molecular Embedding for Drug Discovery".
  ☆39Updated 7 years ago
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆119Updated 2 years ago
• isidroc / bioalerts
  Derivation of structural alerts from bioactivity data sets
  ☆31Updated 9 years ago
• rdkit / UGM_2016
  Materials from the 2016 RDKit UGM
  ☆41Updated 9 years ago
• apahl / mol_frame
  Chemical Structure Handling for Pandas DataFrames
  ☆34Updated 2 years ago
• stan-his / DeepFMPO
  Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"
  ☆71Updated 4 years ago
• sebotic / cdk_pywrapper
  A Python wrapper for the Chemistry Development Kit (CDK)
  ☆38Updated 4 months ago
• undeadpixel / reinvent-gdb13
  A Recurrent Neural Network implementation that uses SMILES strings to generate molecules from GDB-13
  ☆30Updated 6 years ago
• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆97Updated 2 months ago
• rasbt / smilite
  A Python module to retrieve and compare SMILE strings of chemical compounds from the free ZINC online database
  ☆83Updated 5 years ago