Pinned Repositories
ActiveLearning_BindingAffinity
Benchmarking active learning protocols for ligand binding affinity prediction
BSS_FAH
DL_protein_ligand_affinity
From Proteins to Ligands: Decoding Deep Learning Methods for Binding Affinity Prediction
metalloenzymes
msm_best_practices
MSM Best Practices journal article
NN_DG
Repository for using Neural Networks for predicting binding affinities.
online_vampnets
Online learning version of VAMPnets
py_fe_estimators
SILVR
vibrational_spectroscopy
An introduction to teaching vibrational spectroscopy
Mey Research group's Repositories
meyresearch/SILVR
meyresearch/DL_protein_ligand_affinity
From Proteins to Ligands: Decoding Deep Learning Methods for Binding Affinity Prediction
meyresearch/ActiveLearning_BindingAffinity
Benchmarking active learning protocols for ligand binding affinity prediction
meyresearch/metalloenzymes
meyresearch/msm_best_practices
MSM Best Practices journal article
meyresearch/online_vampnets
Online learning version of VAMPnets
meyresearch/ANI-Peptides
meyresearch/Chemistry-5P-project-Crystal-Wong
meyresearch/mentimeter_example
meyresearch/amino_acid_distance_distributions
meyresearch/amino_acid_distances_paper
meyresearch/CCMV_aptamer_msm
meyresearch/EZDock
Docking pipeline using AutoDock Vina and OpenEye Toolkits
meyresearch/idp_md
meyresearch/polymelts
Rounding off update 2023.
meyresearch/afe_with_af2
meyresearch/alchemistry_with_betalactamases
meyresearch/alpha_fold_secondary_structure
meyresearch/DL_Binding_Affinity
This repository contains the code and data for estimating protein-ligand binding affinity scores using Deep Learning techniques.
meyresearch/kinase_analysis
meyresearch/meyresearch.github.io
meyresearch/ML_for_chemistry
meyresearch/moonshot_fep
meyresearch/msm_data
meyresearch/openmm-ml
High level API for using machine learning models in OpenMM simulations
meyresearch/openmm_playground
meyresearch/plotting_playground
meyresearch/py_estimate
meyresearch/torsion_explorer
meyresearch/tps