Alternatives and similar repositories for ChemFlow:

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

• microsoft / two-for-one-diffusion
  This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and forc…
  ☆58Updated 10 months ago
• Dunni3 / FlowMol
  Mixed continous/categorical flow-matching model for de novo molecule generation.
  ☆101Updated 3 weeks ago
• rxn4chemistry / multimodal-spectroscopic-dataset
  Code for generation and benchmarks of the Multimodal Spectroscopic Dataset
  ☆36Updated 2 months ago
• shenoynikhil / ETFlow
  Source code for Equivariant Flow Matching for Molecular Conformer Generation
  ☆28Updated 3 months ago
• vict0rsch / faenet
  ☆34Updated 2 months ago
• facebookresearch / JMP
  Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.
  ☆56Updated 5 months ago
• mirunacrt / synflownet
  A GFlowNet with a chemical synthesis action space.
  ☆48Updated 2 months ago
• apple / ml-mcf
  ☆31Updated 6 months ago
• schwallergroup / steer
  ☆18Updated 2 weeks ago
• valence-labs / mood-experiments
  Molecular Out-Of-Distribution
  ☆37Updated last year
• chao1224 / MoleculeSDE
  A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23
  ☆32Updated last year
• arthurkosmala / EwaldMP
  Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)
  ☆46Updated last year
• facebookresearch / flowmm
  Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…
  ☆120Updated 5 months ago
• HannesStark / FlowSite
  Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …
  ☆94Updated 8 months ago
• zoom-wang112358 / MOLLEO
  Source code of MOLLEO
  ☆39Updated last week
• bjing2016 / mdgen
  Generative modeling of molecular dynamics trajectories
  ☆149Updated last week
• atomistic-machine-learning / schnetpack-gschnet
  G-SchNet extension for SchNetPack
  ☆57Updated 5 months ago
• plainerman / Variational-Doob
  Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling
  ☆49Updated 3 weeks ago
• igashov / RetroBridge
  RetroBridge: Markov Bridge Model for Retrosynthesis Planning
  ☆29Updated last year
• guanjq / confopt_official
  The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)
  ☆36Updated 2 years ago
• wwang2 / CoarseGrainingVAE
  Geometric super-resolution for molecular geometries
  ☆40Updated 2 years ago
• atomicarchitects / symphony
  [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation
  ☆21Updated last month
• facebookresearch / all-atom-diffusion-transformer
  Official implementation of All Atom Diffusion Transformers
  ☆176Updated 2 weeks ago
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆119Updated 10 months ago
• NVlabs / RetMol
  A new retrieval-based framework for controllable molecule generation.
  ☆47Updated last year
• schwallergroup / saturn
  Sample-efficient Generative Molecular Design using Memory Manipulation
  ☆33Updated 4 months ago
• hanjq17 / GeoTDM
  [NeurIPS 2024] The implementation for the paper "Geometric Trajectory Diffusion Models".
  ☆26Updated 2 months ago
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆90Updated 2 years ago
• microsoft / MOFDiff
  Coarse-grained Diffusion for Metal-Organic Framework Design
  ☆42Updated 10 months ago
• GRAPH-0 / JODO
  Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation
  ☆44Updated last year