Alternatives and similar repositories for chemicalx

Users that are interested in chemicalx are comparing it to the libraries listed below

• a-r-j / graphein
  Protein Graph Library
  ☆1,158Updated 2 weeks ago
• DeepGraphLearning / torchdrug
  A powerful and flexible machine learning platform for drug discovery
  ☆1,564Updated last year
• mims-harvard / TDC
  Therapeutics Commons (TDC): Multimodal Foundation for Therapeutic Science
  ☆1,200Updated 7 months ago
• awslabs / dgl-lifesci
  Python package for graph neural networks in chemistry and biology
  ☆790Updated 2 years ago
• MolecularAI / GraphINVENT
  Graph neural networks for molecular design.
  ☆379Updated 2 years ago
• kexinhuang12345 / DeepPurpose
  A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
  ☆1,130Updated last year
• seyonechithrananda / bert-loves-chemistry
  bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.
  ☆486Updated last year
• datamol-io / datamol
  Molecular Processing Made Easy.
  ☆527Updated last year
• DSPsleeporg / smiles-transformer
  Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda e…
  ☆351Updated 3 years ago
• GT4SD / gt4sd-core
  GT4SD, an open-source library to accelerate hypothesis generation in the scientific discovery process.
  ☆369Updated 4 months ago
• sacdallago / bio_embeddings
  Get protein embeddings from protein sequences
  ☆505Updated 2 years ago
• HannesStark / EquiBind
  EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
  ☆535Updated 11 months ago
• nadavbra / protein_bert
  ☆571Updated 10 months ago
• dengjianyuan / Survey_AI_Drug_Discovery
  ☆333Updated last year
• deepchem / DeepLearningLifeSciences
  Example code from the book "Deep Learning for the Life Sciences"
  ☆393Updated 4 years ago
• whitead / dmol-book
  Deep learning for molecules and materials book
  ☆687Updated 3 months ago
• dglai / Graph-Neural-Networks-in-Life-Sciences
  ☆219Updated 3 years ago
• salesforce / provis
  Official code repository of "BERTology Meets Biology: Interpreting Attention in Protein Language Models."
  ☆305Updated 9 months ago
• mims-harvard / graphml-tutorials
  Tutorials for Machine Learning on Graphs
  ☆231Updated 4 years ago
• BenevolentAI / guacamol
  Benchmarks for generative chemistry
  ☆495Updated 2 years ago
• AstraZeneca / awesome-drug-discovery-knowledge-graphs
  A collection of research papers, datasets and software related to knowledge graphs for drug discovery. Accompanies the paper "A review of…
  ☆247Updated 8 months ago
• molecularsets / moses
  Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
  ☆948Updated last year
• oddt / oddt
  Open Drug Discovery Toolkit
  ☆459Updated 3 years ago
• aspuru-guzik-group / selfies
  Robust representation of semantically constrained graphs, in particular for molecules in chemistry
  ☆828Updated 8 months ago
• chemprop / chemprop
  Message Passing Neural Networks for Molecule Property Prediction
  ☆2,262Updated last week
• microsoft / foldingdiff
  Diffusion models of protein structure; trigonometry and attention are all you need!
  ☆562Updated 2 years ago
• ardigen / MAT
  The official implementation of the Molecule Attention Transformer.
  ☆251Updated 5 years ago
• ur-whitelab / exmol
  Explainer for black box models that predict molecule properties
  ☆347Updated 9 months ago
• AstraZeneca / awesome-drug-pair-scoring
  Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring." (IJCAI 2022)
  ☆98Updated 3 years ago
• songlab-cal / tape
  Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different dom…
  ☆732Updated 3 years ago