Alternatives and similar repositories for awesome-drug-discovery

Users that are interested in awesome-drug-discovery are comparing it to the libraries listed below

• aced125 / AI_in_Drug_Discovery_Progress
  An up-to-date list of papers and code relating to progress in the burgeoning field of AI-Drug Discovery
  ☆43Updated 6 years ago
• shenwanxiang / ChemBench
  MoleculeNet benchmark dataset & MolMapNet dataset
  ☆63Updated 3 years ago
• chupvl / awesome-ls-ventures
  Awesome list of the data and AI/ML related projects with direct Life Science Companies participation
  ☆35Updated last year
• devalab / CIGIN
  AAAI 2020: Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules
  ☆35Updated 3 years ago
• asarigun / awesome-denovo-papers
  Awesome De novo drugs design papers
  ☆90Updated last year
• SylwiaNowakowska / LLM_Fine_Tuning_Molecular_Properties
  Fine-tuning of ChemBERTA LLMs to predict molecules' HIV inhibition replication.
  ☆34Updated 2 years ago
• edvardlindelof / graph-neural-networks-for-drug-discovery
  ☆97Updated 5 years ago
• ml-jku / lsc
  Large-scale comparison of machine learning methods for drug target prediction on ChEMBL
  ☆35Updated 5 years ago
• valence-labs / mtl_summer_school_2024
  ☆45Updated last year
• ericmjl / protein-interaction-network
  Computes a molecular graph for protein structures.
  ☆58Updated last week
• HUBioDataLab / SELFormer
  SELFormer: Molecular Representation Learning via SELFIES Language Models
  ☆101Updated 10 months ago
• learningmatter-mit / peptimizer
  Peptide optimization with Machine Learning
  ☆77Updated 2 years ago
• rxn4chemistry / biocatalysis-model
  RXN for biochemical reactions
  ☆71Updated 2 years ago
• recursionpharma / mole_public
  Recursion's molecular foundation model
  ☆59Updated 4 months ago
• nyu-dl / dl4chem-mgm
  ☆68Updated 3 years ago
• iwatobipen / py4chemoinformatics
  Python for chemoinformatics
  ☆51Updated 6 years ago
• HUBioDataLab / DrugGEN
  Official implementation of DrugGEN: Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Ad…
  ☆80Updated 2 weeks ago
• yvquanli / TrimNet
  Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "
  ☆55Updated 2 years ago
• OmicsML / awesome-molecule-protein-pretrain-papers
  ☆45Updated last year
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆71Updated last year
• XinhaoLi74 / MolPMoFiT
  ☆45Updated 3 years ago
• Accio / AMIDD
  Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)
  ☆32Updated this week
• sirimullalab / DLSCORE
  DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity
  ☆48Updated 2 years ago
• mpcrlab / MolecularTransformerEmbeddings
  Code and data for the Transformer neural network trained to translate between molecular text representations and create molecular embeddi…
  ☆63Updated 3 years ago
• GLambard / Molecules_Dataset_Collection
  Collection of data sets of molecules for a validation of properties inference
  ☆109Updated 7 years ago
• insilicomedicine / BiAAE
  Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders
  ☆53Updated 5 years ago
• AITRICS / mol_reliable_gnn
  Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'
  ☆29Updated 4 years ago
• pluskal-lab / MassSpecGym
  MassSpecGym: A benchmark for the discovery and identification of molecules (NeurIPS 2024 Spotlight)
  ☆92Updated last month
• deepchem / moleculenet
  Moleculenet.ai Datasets And Splits
  ☆104Updated 4 years ago
• zhiqiangzhongddu / KDD2023_KaGML_DrugDiscovery_Tutorial
  Materials for KDD2023 tutorial: Knowledge-augmented Graph Machine Learning for Drug Discovery: from Precision to Interpretability
  ☆23Updated 2 years ago