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/NN_DG
Repository for using Neural Networks for predicting binding affinities.
meyresearch/py_fe_estimators
meyresearch/StructureSelector
meyresearch/vibrational_spectroscopy
An introduction to teaching vibrational spectroscopy
meyresearch/ade_reactions
meyresearch/ML_bind
meyresearch/NDM_1_data
meyresearch/SimSetup
meyresearch/BioSimSpaceReproducibility
meyresearch/mdfeature
meyresearch/prep-mcpb
Prepare a metal-containing structure for parameterization with MCPB.py using UCSF Chimera and AmberTools
meyresearch/pyfeanalysis
meyresearch/pytram
meyresearch/rc_learn
meyresearch/RMSD_analysis
meyresearch/Teaching_computing
Resources for teaching computing in STEM