Ferguson Lab at the University of Chicago

ActiveLearningCG

activeLearningPFASLinear

Data-driven discovery of linear molecular probes with optimal selective affinity for PFAS in water

DiAMoNDBack

DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces

dMap_JAX

Diffusion maps using JAX

LSS

mdn_propagator

Mixture Density Networks (MDNs) for learning simulation propagators

mfGPR

Multi-fidelity Gaussian Process Regression

molgen

Conditional Molecular Structure Generation

pines

Permutationally invariant networks for enhanced sampling (PINES)

Protein_design_mmdVAE_torch

Ferg-Lab/DiAMoNDBack

DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces

Ferg-Lab/LSS

Ferg-Lab/mfGPR

Multi-fidelity Gaussian Process Regression

Ferg-Lab/pines

Permutationally invariant networks for enhanced sampling (PINES)

Ferg-Lab/Protein_design_mmdVAE_torch

Ferg-Lab/molgen

Conditional Molecular Structure Generation

Ferg-Lab/activeLearningPFASLinear

Data-driven discovery of linear molecular probes with optimal selective affinity for PFAS in water

Ferg-Lab/ActiveLearningCG

Ferg-Lab/dMap_JAX

Diffusion maps using JAX

Ferg-Lab/integrin_molgen

Deep generative modeling of large multi-molecular systems

Ferg-Lab/mdn_propagator

Mixture Density Networks (MDNs) for learning simulation propagators

Ferg-Lab/ChromSTEM-Denoising-Autoencoder

A denoising autoencoder using convolutional neural networks and molecular dynamics simulations to post-process ChromSTEM images and provide nucleosome-level resolution.

Ferg-Lab/Limits-of-single-molecule-Takens-reconstruction-notebooks

Ferg-Lab/mof-topology-prediction

Ferg-Lab/snrv

Ferg-Lab/WorkCurveOptim