skinnider / low-data-generative-models

Related projects ⓘ

Alternatives and complementary repositories for low-data-generative-models

• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆28Updated 2 years ago
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆36Updated last year
• davidbuterez / mf-pcba
  Source code accompanying the 'MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning' paper
  ☆24Updated last year
• m-mokaya / RIOP
  ☆16Updated last year
• Shen-Lab / gcWGAN
  Guided Conditional Wasserstein GAN for De Novo Protein Design
  ☆37Updated 3 years ago
• jaimergp / autodocktools-prepare-py3k
  Python 3 fork for the preparation scripts contained in AutoDockTools
  ☆20Updated 3 years ago
• Vfold-RNA / RLDOCK
  ☆30Updated 7 months ago
• deep-scaffold / deep_scaffold
  ☆25Updated 4 years ago
• HankerWu / TamGent
  Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design
  ☆20Updated last year
• DeepGraphLearning / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆22Updated 3 years ago
• cieplinski-tobiasz / smina-docking-benchmark
  ☆67Updated 2 years ago
• swansonk14 / chemfunc
  Useful functions for working with small molecules
  ☆40Updated last month
• Genentech / ringer
  RINGER: Rapid Conformer Generation for Macrocycles with Sequence-Conditioned Internal Coordinate Diffusion
  ☆16Updated 3 months ago
• illidanlab / MolSearch
  Implementation of MolSearch paper
  ☆22Updated last year
• fimrie / DeLinker
  ☆36Updated 3 years ago
• oxpig / DEVELOP
  ☆56Updated 8 months ago
• zjujdj / IGN
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆29Updated 3 years ago
• IBM / QMO
  Code and data for QMO https://arxiv.org/abs/2011.01921
  ☆34Updated 3 years ago
• HelloJocelynLu / EFGs
  A simple molecule fragmentation method.
  ☆30Updated last year
• hnlab / can-ai-do
  Predicting or pretending: artificial intelligence for protein-ligand interactions lack of sufficiently large and unbiased datasets
  ☆12Updated 3 years ago
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆86Updated last year
• docking-org / ChemInfTools
  A collection of small scripts and utilities that would otherwise float around in other repositories
  ☆13Updated 2 years ago
• NasimAbdollahi / NodeCoder
  NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.
  ☆31Updated 6 months ago
• rxn4chemistry / rxnaamapper
  Reaction SMILES-AA mapping via language modelling
  ☆29Updated 2 months ago
• mindrank-ai / PharmaBench
  ☆26Updated 7 months ago
• sun-heqi / MultiPPIMI
  A deep learning framework for predicting interactions between protein-protein interaction targets and modulators
  ☆11Updated 11 months ago
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆48Updated 4 years ago
• longlongman / DESERT
  Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)
  ☆32Updated 2 years ago
• zhenglz / OnionNet-SFCT
  Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term
  ☆26Updated 6 months ago
• keiserlab / autofragdiff
  ☆23Updated 5 months ago