Alternatives and similar repositories for TDC

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

• kexinhuang12345 / DeepPurpose
  A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
  ☆1,036Updated 11 months ago
• awslabs / dgl-lifesci
  Python package for graph neural networks in chemistry and biology
  ☆751Updated last year
• a-r-j / graphein
  Protein Graph Library
  ☆1,091Updated 2 months ago
• DeepGraphLearning / torchdrug
  A powerful and flexible machine learning platform for drug discovery
  ☆1,498Updated 9 months ago
• songlab-cal / tape
  Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different dom…
  ☆693Updated 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
  ☆506Updated 2 months ago
• LPDI-EPFL / masif
  MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
  ☆653Updated 10 months ago
• agemagician / ProtTrans
  ProtTrans is providing state of the art pretrained language models for proteins. ProtTrans was trained on thousands of GPUs from Summit a…
  ☆1,201Updated 3 months ago
• dengjianyuan / Survey_AI_Drug_Discovery
  ☆318Updated last year
• deepmodeling / Uni-Mol
  Official Repository for the Uni-Mol Series Methods
  ☆844Updated this week
• molecularsets / moses
  Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
  ☆884Updated 10 months ago
• gcorso / DiffDock
  Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
  ☆1,238Updated last week
• yangkky / Machine-learning-for-proteins
  Listing of papers about machine learning for proteins.
  ☆1,613Updated 11 months ago
• sacdallago / bio_embeddings
  Get protein embeddings from protein sequences
  ☆489Updated 2 years ago
• AspirinCode / papers-for-molecular-design-using-DL
  List of Molecular and Material design using Generative AI and Deep Learning
  ☆792Updated this week
• aspuru-guzik-group / selfies
  Robust representation of semantically constrained graphs, in particular for molecules in chemistry
  ☆740Updated 3 months ago
• BenevolentAI / guacamol
  Benchmarks for generative chemistry
  ☆447Updated 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.
  ☆446Updated 6 months ago
• chemprop / chemprop
  Message Passing Neural Networks for Molecule Property Prediction
  ☆1,949Updated this week
• deepchem / DeepLearningLifeSciences
  Example code from the book "Deep Learning for the Life Sciences"
  ☆371Updated 3 years ago
• nadavbra / protein_bert
  ☆528Updated last month
• AstraZeneca / chemicalx
  A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
  ☆740Updated last year
• gnina / gnina
  A deep learning framework for molecular docking
  ☆714Updated last week
• MolecularAI / GraphINVENT
  Graph neural networks for molecular design.
  ☆370Updated 2 years ago
• junxia97 / awesome-pretrain-on-molecules
  [IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models
  ☆522Updated last year
• thinng / GraphDTA
  GraphDTA: Predicting drug-target binding affinity with graph neural networks
  ☆249Updated 4 years ago
• hkmztrk / DeepDTA
  Source code for "DeepDTA: deep drug-target binding affinity prediction"
  ☆250Updated last year
• mordred-descriptor / mordred
  a molecular descriptor calculator
  ☆401Updated last year
• oddt / oddt
  Open Drug Discovery Toolkit
  ☆438Updated 2 years ago
• volkamerlab / teachopencadd
  TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
  ☆854Updated last month