Alternatives and similar repositories for Molecular-Solubility-with-PyTorch-Geometric

Users that are interested in Molecular-Solubility-with-PyTorch-Geometric are comparing it to the libraries listed below

• isidroc / kekulescope
  Code for KekuleScope
  ☆11Updated 2 years ago
• YunjaeChoi / vaemols
  Variational Autoencoder for Molecules
  ☆32Updated 6 years ago
• marcossantanaioc / De_novo_design_SARSCOV2
  Notebooks and files from the paper De novo Design and Bioactivity Prediction of SARS-CoV-2 Main Protease Inhibitors using Recurrent Neura…
  ☆14Updated 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
  ☆15Updated 5 years ago
• DarkMatterAI / mrl
  Molecular Reinforcement Learning
  ☆14Updated 2 years ago
• seokhokang / graphvae_compress
  Compressed Graph Representation for Scalable Molecular Graph Generation
  ☆11Updated 5 years ago
• swansonk14 / chemprop-factor
  Matrix factorization and deep learning for molecular property prediction
  ☆13Updated 6 years ago
• filipsPL / ABChemoinformatics
  ABC of chemoinformatics
  ☆18Updated 7 years ago
• MolecularAI / Deep-Drug-Coder
  ☆17Updated 2 years ago
• Accio / AMIDD
  Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)
  ☆32Updated last week
• deepchem / deepdock
  An experimental package for deep learning for molecular docking
  ☆20Updated 5 years ago
• FredrikSvenssonUK / tox21_conformal
  ☆12Updated 4 years ago
• PaccMann / paccmann_sarscov2
  Code for paper on automation of discovery and synthesis of targeted molecules: https://iopscience.iop.org/article/10.1088/2632-2153/abe80…
  ☆19Updated 4 years ago
• kheyer / Deep-Synthesis
  A deep learning framework for predicting chemical synthesis
  ☆24Updated last year
• batmanlab / drugEmbedding
  Hierarchical Embedding for Drugs
  ☆16Updated last year
• yangkevin2 / lsc_experiments
  Scripts for running lsc model on other datasets
  ☆13Updated 6 years ago
• ahmetrifaioglu / DEEPScreen
  Drug-Target Interaction Prediction Using Convolutional Neural Networks By Images of Compounds
  ☆10Updated 5 years ago
• i-shah / ml-organ-tox
  Data-driven chemical-induced toxicity prediction by machine learning using chemical and bioactivity data
  ☆10Updated 8 years ago
• michael1788 / hybridCLMs
  Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»
  ☆11Updated 3 years ago
• alexarnimueller / SMILES_generator
  Generative RNN for molecule de novo design
  ☆19Updated 3 years ago
• jiaminho / COVID-19-Drug-Discovery
  COVID-19 Drug Design using Generative RNN-LSTM
  ☆14Updated 5 years ago
• theochem / B3clf
  Predictors for Blood-Brain Barrier Permeability with resampling strategies based on B3DB database.
  ☆13Updated 2 months ago
• ncats / herg-ml
  ☆17Updated 2 years ago
• exalearn / covid-drug-design
  Code and analyses related to the ExaLearn drug design efforts
  ☆11Updated 5 years ago
• Saminakausar / Automated-framework-for-QSAR-model-building
  ☆10Updated 6 years ago
• tony-blake / MD-Simulation
  A Generalised workflow for obtaining protein and peptide molecular structures, docking the peptide into the protein and running a molecul…
  ☆12Updated 9 months ago
• PaccMann / paccmann_datasets
  pytoda - PaccMann PyTorch Dataset Classes. Read the docs: https://paccmann.github.io/paccmann_datasets/
  ☆28Updated last year
• jgmeyerucsd / drug-class
  comparing drug classification methods
  ☆22Updated 5 years ago
• jyasonik / MoleculeMO
  Multiobjective De Novo Drug Design with Recurrent Neural Networks and Nondominated Sorting
  ☆18Updated 5 years ago
• cadd-synthetic / GASA
  Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
  ☆22Updated 2 years ago