Alternatives and similar repositories for ESPF

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

• skinnider / low-data-generative-models
  ☆20Updated 4 years ago
• PaccMann / paccmann_kinase_binding_residues
  Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pub…
  ☆37Updated 3 years ago
• maxime-langevin / scaffold-constrained-generation
  ☆40Updated 5 years ago
• shenwanxiang / ChemBench
  MoleculeNet benchmark dataset & MolMapNet dataset
  ☆64Updated 3 years ago
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆30Updated 3 years ago
• DeepGraphLearning / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆22Updated 4 years ago
• josejimenezluna / xaibench_tf
  Supporting models and data to doi 10.1021/acs.jcim.1c01163
  ☆15Updated 3 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
• jidushanbojue / YaSAScore
  Prediction of compound synthesis accessibility bashed on reaction knowledge graph
  ☆18Updated 3 years ago
• CMACH508 / AlphaDrug
  AlphaDrug: Protein Target Specific De Novo Molecular Generation
  ☆40Updated 3 years ago
• illidanlab / MolSearch
  Implementation of MolSearch paper
  ☆23Updated 2 years ago
• samoturk / mol2vec_notebooks
  Mol2vec notebooks for use with Binder service
  ☆29Updated 7 years ago
• reymond-group / MLpeptide
  Machine Learning Designs Non-Hemolytic Antimicrobial Peptides
  ☆35Updated 4 years ago
• ETHmodlab / molecular_design_with_beam_search
  ☆23Updated 4 years ago
• cadd-synthetic / GASA
  Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
  ☆23Updated 2 years ago
• grisoniFr / de_novo_design_RNN
  Code for "De novo molecular design with chemical language models"
  ☆13Updated 4 years ago
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 4 years ago
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆64Updated last month
• alexarnimueller / SMILES_generator
  Generative RNN for molecule de novo design
  ☆20Updated 3 years ago
• kiharalab / Emap2sec
  Emap2sec is a computational tool to identify protein secondary structures
  ☆16Updated last year
• totient-bio / gatnn-vs
  Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning
  ☆21Updated 4 years ago
• DS3Lab / RosENet
  ☆37Updated 4 years ago
• sirimullalab / KinasepKipred
  Model to predict kinase-ligand pKi values.
  ☆12Updated 2 years ago
• chennnnnyize-zz / Generative-Molecules
  ☆31Updated 7 years ago
• pgniewko / solubility
  My (small) research project in solubility of drug-like molecules
  ☆18Updated 4 years ago
• volkamerlab / maxsmi
  maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
  ☆34Updated last year
• swansonk14 / chemfunc
  Useful functions for working with small molecules
  ☆55Updated 3 months ago
• tsa87 / semi-jtvae
  Semi-supervised Junction Tree Variational Autoencoder for jointly trained property prediction and molecule structure generation. (AAAI 23…
  ☆12Updated 2 years ago
• MolecularAI / MolBART
  Pretrained SMILES transformation model for finetuning for diverse molecular tasks.
  ☆53Updated 3 years ago
• quantaosun / notebook
  My first ever repository, some notebooks useful, others sucks. Topics include file format conversion with obabel, docking with Auto Dock,…
  ☆26Updated last month