Alternatives and similar repositories for deepchem-gui:

Users that are interested in deepchem-gui are comparing it to the libraries listed below

• cxhernandez / molencoder
  Molecular AutoEncoder in PyTorch
  ☆90Updated 4 years ago
• deepchem / torchchem
  An experimental repo for experimenting with PyTorch models
  ☆35Updated 2 years ago
• rdkit / conda-rdkit
  Conda build recipe for the rdkit
  ☆51Updated 3 years ago
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆64Updated 5 years ago
• wengong-jin / chemprop
  Chemical Property Prediction with Graph Convolutional Networks
  ☆60Updated 5 years ago
• pandegroup / reaction_prediction_seq2seq
  ☆66Updated 5 years ago
• cinfony / cinfony
  Simplified and standard interface to a number of cheminformatics toolkits
  ☆87Updated last year
• connorcoley / ochem_predict_nn
  ☆114Updated 7 years ago
• Mishima-syk / psikit
  psi4+RDKit
  ☆100Updated 2 years ago
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆53Updated this week
• GUR9000 / KerasNeuralFingerprint
  Keras-based implementation of neural fingerprints, operating on molecular graphs of arbitrary size
  ☆24Updated 8 years ago
• choderalab / openmoltools
  An open set of tools for automating tasks relating to small molecules
  ☆65Updated 3 years ago
• samplchallenges / SAMPL6
  Challenge inputs, details, and results for the SAMPL6 series of challenges
  ☆53Updated 3 years ago
• rdkit / UGM_2016
  Materials from the 2016 RDKit UGM
  ☆40Updated 8 years ago
• Merck / DeepNeuralNet-QSAR
  ☆64Updated 6 years ago
• whitead / molbloom
  Molecular bloom filter tool
  ☆116Updated 3 weeks ago
• keiserlab / keras-neural-graph-fingerprint
  Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015
  ☆46Updated 6 years ago
• rasbt / protein-science
  A collection of useful tutorials for Protein Science
  ☆106Updated 9 years ago
• PatWalters / metk
  Model Evaluation Toolkit
  ☆27Updated 6 years ago
• mcs07 / MolVS
  Molecule Validation and Standardization
  ☆170Updated 5 years ago
• jnwei-zz / neural_reaction_fingerprint
  ☆51Updated 7 years ago
• wengong-jin / nips17-rexgen
  Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)
  ☆150Updated 6 years ago
• schrodinger / schrodingerdeepchem
  Deep-learning models for Drug Discovery and Quantum Chemistry
  ☆27Updated 7 years ago
• connorcoley / conv_qsar_fast
  ☆49Updated 7 years ago
• samplchallenges / SAMPL7
  Challenge details, inputs, and results for the SAMPL7 series of challenges
  ☆46Updated 3 years ago
• playmolecule / ligdream
  Novel molecules from a reference shape!
  ☆84Updated last year
• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆46Updated 6 years ago
• UCLCheminformatics / ScaffoldGraph
  ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold netw…
  ☆179Updated 3 years ago
• rdkit / UGM_2020
  Materials from the (virtual) 2020 RDKit UGM
  ☆52Updated 4 years ago
• stan-his / DeepFMPO
  Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"
  ☆69Updated 4 years ago