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

• MolecularAI / Deep-Drug-Coder
  ☆17Updated 2 years ago
• isidroc / kekulescope
  Code for KekuleScope
  ☆11Updated 3 years ago
• ShirleyWISiu / LigTMap
  LigTMap currently supports prediction for 17 protein target classes that include 6000+ protein targets.
  ☆16Updated 4 years ago
• batmanlab / drugEmbedding
  Hierarchical Embedding for Drugs
  ☆16Updated last year
• 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
• exalearn / covid-drug-design
  Code and analyses related to the ExaLearn drug design efforts
  ☆11Updated 5 years ago
• MolecularAI / route-distances
  Tools and routines to calculate distances between synthesis routes and to cluster them.
  ☆28Updated 9 months ago
• filipsPL / ABChemoinformatics
  ABC of chemoinformatics
  ☆20Updated 7 years ago
• iwatobipen / vs_vina
  ☆13Updated 4 years ago
• cansyl / MDeePred
  Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery
  ☆28Updated 4 years ago
• Shen-Lab / BAL
  Bayesian Active Learning for Optimization and Uncertainty Quantification with Applications to Protein Docking
  ☆13Updated 4 years ago
• sirimullalab / KinasepKipred
  Model to predict kinase-ligand pKi values.
  ☆12Updated 2 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
• YunjaeChoi / vaemols
  Variational Autoencoder for Molecules
  ☆32Updated 7 years ago
• OE-FET / FraGVAE
  Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules
  ☆14Updated 3 years ago
• jyasonik / MoleculeMO
  Multiobjective De Novo Drug Design with Recurrent Neural Networks and Nondominated Sorting
  ☆18Updated 5 years ago
• ram-compbio / CANDO
  Computational Analysis of Novel Drug Opportunities
  ☆40Updated this week
• totient-bio / gatnn-vs
  Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning
  ☆21Updated 4 years ago
• alexarnimueller / SMILES_generator
  Generative RNN for molecule de novo design
  ☆20Updated 3 years ago
• Svvord / visar
  ☆13Updated 6 years ago
• Accio / AMIDD
  Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)
  ☆32Updated this week
• pgniewko / solubility
  My (small) research project in solubility of drug-like molecules
  ☆18Updated 5 years ago
• cyclica / deriver
  ☆11Updated 2 years ago
• ncats / herg-ml
  ☆17Updated 3 years ago
• FredrikSvenssonUK / tox21_conformal
  ☆12Updated 4 years ago
• 595693085 / ProteinDescriptor
  a protein descriptor for site prediction
  ☆16Updated 6 years ago
• yangkevin2 / lsc_experiments
  Scripts for running lsc model on other datasets
  ☆13Updated 6 years ago
• chennnnnyize-zz / Generative-Molecules
  ☆31Updated 7 years ago
• shiwentao00 / Pocket2Drug
  Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.
  ☆21Updated 3 years ago