deepchem

There are 0 repository under deepchem topic.

• rnepal2 / Solubility-Prediction-with-Graph-Neural-Networks

  GNN, GCN, Molecular Solubility, RDKit, Cheminformatics

  graph-neural-networkspytorchdeep-learningrdkit-chemdeepchemgcngnnsolubility-prediction
  Language:Jupyter Notebook 32

• YoucefBYu / Drug-descovery-project

  With the rise of deep learning models and the successful result showing in different domains (such as Computer vision and Natural language processing)researchers and laboratories of chem-informatics try to apply these techniques in drug design and discovery. recently,the application of Deep Learning in this area of research has made a good progress but it is in the early stage and we can’t say that the results lead us to rational drug design,which mean designing new drugs without in Vivo and human trials. in this project project, we apply different machine learning models on drug design and discovery datasets with multiple tasks (each dateset has a task or goal to achieve from the analysis) after the evaluation and comparison of our results and the benchmarks we found that the huge problem is the small amount of data.

  deepchemnotebookcolab-notebooktensorflowkeraspandasscikit-multilearnseabornnumpyrdkitdeep-neural-networksmachine-learning-algorithmstox21auc-trgoogle-driveauc-testpydriveplt
  7

• jurevito / molecule-solubility

  Molecule water solubility prediction using DeepChem.

  deepchemqsarsolubility
  Language:Jupyter Notebook 4

• BurakKahramanHacettepe / Drug-Sensitivity-Prediction-for-Cancer-Cell-lines-with-Pairwise-Input-Graph-Convolutional-Neural-Net

  ---------BBM420 -------- UNDERGRADUATE PROJECT FINAL REPORT

  bioinformaticsdeep-learningdeepchemkeras-tensorflow
  Language:Jupyter Notebook 3

• dbetm / DeepLearningLifeSciences

  Using DeepChem with TensorFlow 2.x and Keras

  biologychemistrycolabdeepchemdeeplearningmedicine
  Language:Jupyter Notebook 3

• deepak2233 / GNN-Based-HIV-Molecules-Classification

  HIV molecules classification using GNN with attention

  chemoinformaticsdeep-learningdeepchemgnn-modelpythonpytorchpytorch-geometric
  Language:Python 3

• UnixJunkie / deepchem-playground

  some scripts using deepchem

  deepchemchemoinformaticsdeep-learningclassificationearly-stoppingtox21toxicity-prediction
  Language:Python 3

• kcncell / Deepchem_toxicityPredictionModel

  This is an introductory deep learning model which uses the Deepchem package. Lots of credit has to be given to the authors(Ramsundar B., Eastman P., Walters P., Pande V.) of the book "Deep Learning for the Life Sciences". This book has been a gold mine in terms of my exploration and journey in DeepLearning in the field of biochemistry.

  deepchemrdkit-chemrdkitdeep-learningdeep-neural-networksneural-network
  Language:Jupyter Notebook 2

• RodrigoZepeda / docker-solubility

  Docker for reproducing solubility model

  dockerpython3docker-imagechemistrydeepchem
  Language:HTML 2

• UpasanaGhosh / UB-CSE700-Independent-Study-Drug-Discovery-and-Repuposing

  This is a research project as part of the course CSE-700 : Independent Study, that I had taken up for Spring 2020 at the University at Buffalo.

  cnndeep-learningdeep-neural-networksdeepchemdrug-discoverydrug-repurposinggcn
  Language:Jupyter Notebook 1

• Molecular-Forecaster / Toxicity-Forecasts

  Scripts that discussed in the book chapter titled "Toxicity Forecaster: Navigating Data-Driven AI/ML Models - From Theory to Practice"

  bookchapterdeep-learningdeepchemmachine-learningrdkit