Alternatives and similar repositories for FlexibleMachineLearning

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

• garywei944 / ChemFlow
  Uncover meaningful structures of latent spaces learned by generative models with flows!
  ☆42Updated last year
• ml-jku / clamp
  Code for the paper Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language
  ☆98Updated 9 months ago
• Future-House / ether0
  A scientific reasoning model, dataset, and reward functions for chemistry.
  ☆81Updated this week
• lamm-mit / ProtAgents
  ☆35Updated last year
• 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…
  ☆62Updated last year
• instadeepai / protein-sequence-bfn
  Supporting code for our paper "Protein Sequence Modelling with Bayesian Flow Networks"
  ☆44Updated 3 months ago
• plainerman / Variational-Doob
  Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling
  ☆49Updated 3 months ago
• OpenBioML / protein-lm-scaling
  ☆58Updated last year
• amorehead / alphafold3-pytorch-lightning-hydra
  Implementation of AlphaFold 3 in PyTorch Lightning + Hydra
  ☆34Updated 8 months ago
• ur-whitelab / BO-ICL
  BayesOpt + LIFT
  ☆69Updated last month
• bjing2016 / mdgen
  Generative modeling of molecular dynamics trajectories
  ☆156Updated 2 months ago
• ncfrey / litmatter
  Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.
  ☆72Updated last year
• zoom-wang112358 / MOLLEO
  Source code of MOLLEO
  ☆44Updated 2 months ago
• azminewasi / Awesome-MoML-ICLR25
  ALL Molecular ML papers from ICLR'25.
  ☆39Updated 3 months ago
• atomicarchitects / DeNS
  [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
  ☆37Updated 4 months ago
• Dunni3 / FlowMol
  Mixed continous/categorical flow-matching model for de novo molecule generation.
  ☆109Updated last week
• MJ10 / BioSeq-GFN-AL
  Code for "Biological Sequence Design with GFlowNets", 2022
  ☆73Updated 2 years ago
• vict0rsch / faenet
  ☆34Updated 4 months ago
• facebookresearch / all-atom-diffusion-transformer
  Official implementation of All Atom Diffusion Transformers (ICML 2025)
  ☆232Updated last month
• rish-16 / rna-backbone-design
  Source code for RNA-FrameFlow: SE(3) Flow Matching for 3D RNA Backbone Design
  ☆64Updated this week
• valence-labs / mood-experiments
  Molecular Out-Of-Distribution
  ☆37Updated 2 months ago
• whitead / minimalaf
  Minimal AlphaFold
  ☆53Updated 10 months ago
• gmh14 / data_efficient_grammar
  [ICLR 2022] Data-Efficient Graph Grammar Learning for Molecular Generation
  ☆95Updated last year
• ml-jku / mhn-react
  Modern Hopfield Network (MHN) for template relevance prediction
  ☆45Updated last year
• prescient-design / cortex
  A Modular Architecture for Deep Learning Systems
  ☆41Updated last month
• microsoft / LLM4ScientificDiscovery
  Call for participation in the impact of LLM for scientific discovery
  ☆73Updated last year
• Dunni3 / keypoint-diffusion
  A diffusion model for structure-based drug design with faster inference from learned representations of protein structure.
  ☆29Updated last year
• GT4SD / multitask_text_and_chemistry_t5
  Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023
  ☆40Updated 9 months ago
• Genentech / equifold
  Official code repository for EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation
  ☆121Updated 2 years ago
• Genentech / walk-jump
  Official repository for discrete Walk-Jump Sampling (dWJS)
  ☆53Updated last year