Alternatives and similar repositories for scalar-fields

Users that are interested in scalar-fields are comparing it to the libraries listed below

• HySonLab / Ligand_Generation
  Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning
  ☆31Updated last year
• Sundw-818 / DSR
  The code for NeurIPS 2023 paper DSR
  ☆14Updated 2 years ago
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆51Updated 3 years ago
• compsciencelab / mdCATH
  This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…
  ☆53Updated last month
• noegroup / flowm
  Flow-matching for coarse graining of miniproteins.
  ☆18Updated 3 years ago
• vsomnath / flexdock
  Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)
  ☆54Updated 7 months ago
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• DeepLearningPS / EcConf
  EC-Conf: An Ultra-fast Diffusion Model for Molecular conformation Generation with Equivariant Consistency
  ☆12Updated last year
• Minys233 / Dynaformer
  ☆34Updated last year
• Genentech / Voxbind
  ☆31Updated last year
• microsoft / bioemu-benchmarks
  Benchmarking code accompanying the release of `bioemu`
  ☆53Updated last month
• aivant / ShapeLinker
  ☆25Updated last month
• Vincentx15 / atomsurf
  ☆24Updated 2 months ago
• biomed-AI / DiffDec
  ☆38Updated last year
• OdinZhang / SDEGen
  ☆24Updated 2 years ago
• LDeng0205 / confidence-bootstrapping
  Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
  ☆27Updated last year
• meyresearch / SILVR
  ☆37Updated last year
• drorlab / FRAME
  Fragment-based Molecular Expansion
  ☆27Updated 2 years ago
• shuyana / DiffusionProteinLigand
  ☆80Updated last year
• CataAI / PoseX
  PoseX: A Molecular Docking Benchmark
  ☆61Updated 6 months ago
• juanniwu / t-SMILES
  ☆39Updated 9 months ago
• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆58Updated this week
• anton-bushuiev / PPIformer
  Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)
  ☆50Updated last month
• Genentech / voxmol
  ☆21Updated last year
• bowen-gao / SIU
  SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction
  ☆17Updated 11 months ago
• zchwang / IGModel
  This is the first model that can simultaneously predict the RMSD of the ligand docking pose and the binding strength against the target.
  ☆20Updated last year
• learningmatter-mit / GenZProt
  ☆27Updated last year
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆32Updated last year
• THGLab / LP-PDBBind
  ☆60Updated 6 months ago
• amelvim / antibody-diffusion-properties
  Guiding diffusion models for antibody sequence and structure co-design with developability properties.
  ☆35Updated last year