hsiaoyi0504/awesome-cheminformatics

Issues

• medchem programming tutorials

  #66 opened a year ago by JacksonBurns
  0

• 3DMolMS

  #63 opened a year ago by hsiaoyi0504
  0

• AmberTools

  #11 opened 7 years ago by hsiaoyi0504
  0

• JT-VAE

  #62 opened 2 years ago by hsiaoyi0504
  0

• ChemTS

  #19 opened 6 years ago by hsiaoyi0504
  0

• Chemical Property Prediction with Graph Convolutional Networks

  #25 opened 6 years ago by hsiaoyi0504
  0

• message passing neural networks for molecular property prediction.

  #24 opened 6 years ago by hsiaoyi0504
  0

• Chembl's blog related to autoencoder

  #17 opened 6 years ago by hsiaoyi0504
  0

• Paper: Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set

  #18 opened 6 years ago by hsiaoyi0504
  0

• keras-molecules

  #5 opened 7 years ago by hsiaoyi0504
  0

• molecule-autoencoder

  #6 opened 7 years ago by hsiaoyi0504
  0

• grammer VAE

  #16 opened 2 years ago by hsiaoyi0504
  0

• ambit

  #40 opened 2 years ago by hsiaoyi0504
  0

• Conformer generation

  #48 opened 2 years ago by hsiaoyi0504
  0

• Source code of Chemical Translation Service

  #31 opened 2 years ago by hsiaoyi0504
  0

• ProDy

  #13 opened 2 years ago by hsiaoyi0504
  1

• ReLeaSE

  #20 opened 6 years ago by hsiaoyi0504
  1

• RDchiral

  #39 opened 2 years ago by hsiaoyi0504
  0

• gypsum_dl

  #43 opened 2 years ago by hsiaoyi0504
  0

• silicos-it

  #41 opened 2 years ago by hsiaoyi0504
  1

• CDD and ML

  #53 opened 2 years ago by hsiaoyi0504
  0

• descriptastorus

  #42 opened 4 years ago by hsiaoyi0504
  1

• tensorMol

  #21 opened 4 years ago by hsiaoyi0504
  2

• 2019 update version of course of Cheminformatics

  #30 opened 4 years ago by hsiaoyi0504
  1

• chemlabR

  #32 opened 4 years ago by hsiaoyi0504
  2

• chemml

  #47 opened 4 years ago by hsiaoyi0504
  1

• SMILES enumeration for machine learning

  #15 opened 6 years ago by hsiaoyi0504
  4

• kind pages

  #33 opened 4 years ago by hsiaoyi0504
  1

• pharmit

  #44 opened 4 years ago by hsiaoyi0504
  0

• SIMULATION IN CHEMISTRY & BIOCHEMISTRY

  #22 opened 5 years ago by hsiaoyi0504
  1

• py4chinformatics

  #37 opened 5 years ago by hsiaoyi0504
  0

• rd_filters

  #14 opened 5 years ago by hsiaoyi0504
  1

• pytorch-geometric

  #38 opened 5 years ago by hsiaoyi0504
  2

• IS LIFE WORTH LIVING?

  #36 opened 5 years ago by hsiaoyi0504
  3

• ChemRICH

  #35 opened 5 years ago by hsiaoyi0504
  0

• Add LibText

  #28 opened 5 years ago by hsiaoyi0504
  1

• add TeachOpenCADD

  #29 opened 5 years ago by hsiaoyi0504
  1

• DeepChem

  #4 opened 7 years ago by hsiaoyi0504
  0

• OpenMM

  #10 opened 7 years ago by hsiaoyi0504
  0

• Gromacs

  #9 opened 7 years ago by hsiaoyi0504
  1

• VMD

  #8 opened 7 years ago by hsiaoyi0504
  1

• MolVS

  #3 opened 7 years ago by hsiaoyi0504
  1

• mordred

  #2 opened 7 years ago by hsiaoyi0504
  1

• 'module' object has no attribute 'utils'

  #7 opened 7 years ago by DJDrennan
  2