Alternatives and similar repositories for FAST

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

• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆72Updated 10 months ago
• oxpig / DeLinker
  ☆134Updated 3 years ago
• zhenglz / onionnet
  A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction
  ☆83Updated 5 years ago
• fimrie / DeLinker
  ☆38Updated 5 years ago
• EBjerrum / molvecgen
  Molecular vectorization and batch generation
  ☆50Updated 4 years ago
• HBioquant / DiffBindFR
  Diffusion model based protein-ligand flexible docking method
  ☆116Updated last year
• Barabasi-Lab / AI-Bind
  Interpretable AI pipeline improving binding predictions for novel protein targets and ligands
  ☆40Updated last year
• devalab / DeepPocket
  Ligand Binding Site detection using Deep Learning
  ☆111Updated 8 months ago
• piercelab / antibody_benchmark
  Antibody-Antigen Docking and Affinity Benchmark
  ☆75Updated 5 years ago
• Mickdub / gvp
  ☆89Updated last year
• shuyana / DiffusionProteinLigand
  ☆80Updated last year
• 595693085 / DGraphDTA
  a novel DTA predition method using graph neural network
  ☆76Updated 2 years ago
• kiharalab / GNN_DOVE
  Code for "Protein Docking Model Evaluation by Graph Neural Networks"
  ☆59Updated 2 years ago
• asarigun / awesome-denovo-papers
  Awesome De novo drugs design papers
  ☆90Updated 2 years ago
• dariagrechishnikova / molecule_structure_generation
  ☆45Updated 4 years ago
• jenniening / deltaVinaXGB
  This is a machine-learning based protein-ligand scoring function.
  ☆53Updated 5 years ago
• wenhao-gao / SynNet
  ☆94Updated 3 years ago
• BFeng14 / ActFound
  Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning
  ☆45Updated last year
• BioinfoMachineLearning / DIPS-Plus
  The Enhanced Database of Interacting Protein Structures for Interface Prediction
  ☆52Updated 4 months ago
• THGLab / LP-PDBBind
  ☆59Updated 6 months ago
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆128Updated 2 years ago
• drorlab / combind
  Integrated physics-based and ligand-based modeling.
  ☆69Updated 2 months ago
• KailiWang1 / DeepDTAF
  a deep learning architecture for protein-ligand binding affinity prediction
  ☆76Updated last year
• AndMastro / protein-ligand-GNN
  This repository contains the code for the work on protein-ligand interaction with GNNs and XAI
  ☆36Updated 2 years ago
• wsjeon92 / morld
  ☆28Updated 2 years ago
• vibudh2209 / D2
  Speed virtual screening by 50X
  ☆97Updated 2 years ago
• oxpig / DEVELOP
  ☆56Updated last year
• ardigen / mol-cycle-gan
  Mol-CycleGAN - a generative model for molecular optimization
  ☆78Updated 6 years ago
• huhlim / alphafold-multistate
  ☆42Updated last year
• wyji001 / Point-Cloud
  ☆22Updated 4 years ago