Alternatives and similar repositories for semla-flow

Users that are interested in semla-flow are comparing it to the libraries listed below

• HannesStark / FlowSite
  Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …
  ☆101Updated last year
• Dunni3 / FlowMol
  Mixed continous/categorical flow-matching model for de novo molecule generation.
  ☆166Updated last month
• cch1999 / posecheck
  Pose checks for 3D Structure-based Drug Design methods
  ☆91Updated 11 months ago
• mirunacrt / synflownet
  A GFlowNet with a chemical synthesis action space.
  ☆97Updated 8 months ago
• shenoynikhil / ETFlow
  Source code for Equivariant Flow Matching for Molecular Conformer Generation
  ☆51Updated 2 months ago
• GRAPH-0 / JODO
  Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation
  ☆51Updated last year
• learningmatter-mit / GenZProt
  ☆27Updated last year
• bjing2016 / mdgen
  Generative modeling of molecular dynamics trajectories
  ☆174Updated 6 months ago
• molML / s4-for-de-novo-drug-design
  The official codebase of the paper "Chemical language modeling with structured state space sequence models"
  ☆80Updated last year
• pengxingang / MolDiff
  MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
  ☆72Updated last year
• tuanle618 / eqgat-diff
  Research repository to the publication: Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molec…
  ☆14Updated last year
• torchmd / torchmd-protein-thermodynamics
  Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics
  ☆89Updated 8 months ago
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆97Updated 2 years ago
• noegroup / flowm
  Flow-matching for coarse graining of miniproteins.
  ☆19Updated 2 years ago
• bytedance / ConfDiff
  Official Implemetation of ConfDiff (ICML'24) - Protein Conformation Generation via Force-Guided SE(3) Diffusion Models
  ☆69Updated last year
• GenSI-THUAIR / GeoBFN
  Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"
  ☆56Updated last year
• THUNLP-MT / PepGLAD
  Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)
  ☆95Updated 6 months ago
• Genentech / voxmol
  ☆19Updated last year
• blt2114 / ProtDiff_SMCDiff
  Code implementation of "Diffusion probabilistic modeling of protein backbones in 3D for the motif-scaffolding problem" https://arxiv.org/…
  ☆72Updated 2 years ago
• aspuru-guzik-group / group-selfies
  ☆69Updated 2 years ago
• shuyana / DiffusionProteinLigand
  ☆78Updated last year
• GenSI-THUAIR / MolFM
  Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"
  ☆38Updated last year
• yuyangw / Denoise-Pretrain-ML-Potential
  Implementation of "Denoise Pretraining on Non-equilibrium Molecular Conformations for Accurate and Transferable Neural Potentials" in PyT…
  ☆14Updated 2 years ago
• vsomnath / flexdock
  Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)
  ☆50Updated 4 months ago
• THGLab / LP-PDBBind
  ☆56Updated 3 months ago
• igashov / RetroBridge
  RetroBridge: Markov Bridge Model for Retrosynthesis Planning
  ☆32Updated last year
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆126Updated last year
• keiradams / SQUID
  Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
  ☆67Updated 10 months ago
• mrjoness / Flow-Back
  Generative backmapping of coarse-grained molecular systems using an equivariant graph neural network and flow-matching
  ☆10Updated last month
• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆52Updated last week