Pinned Repositories
learn2thermDB
Prediction of high temperature stable protein structures approached as a natural language problem
learn2thermML
Machine learning of low and high temperature proteins
aide
An attempt to create a modular, unifying code base for incorporating recent (and future) AI techniques to accelerate directed evolution campaigns.
alphafold
Open source code for AlphaFold.
C-HACK
Chem E Hackathon 2021 Tutorial Notebooks
cclib
Parsers and algorithms for computational chemistry logfiles
CHACK_documents
Supporting documents for the C-HACK 2022 event given to students
DAMPN
Isolated repo for testing distance aware message passing architecture
quickq
Prediction of partition functions using trained ML estimators
thermalizer
EvanKomp's Repositories
EvanKomp/thermalizer
EvanKomp/aide
An attempt to create a modular, unifying code base for incorporating recent (and future) AI techniques to accelerate directed evolution campaigns.
EvanKomp/alphafold
Open source code for AlphaFold.
EvanKomp/C-HACK
Chem E Hackathon 2021 Tutorial Notebooks
EvanKomp/cclib
Parsers and algorithms for computational chemistry logfiles
EvanKomp/CHACK_documents
Supporting documents for the C-HACK 2022 event given to students
EvanKomp/cse512_hw
EvanKomp/DAMPN
Isolated repo for testing distance aware message passing architecture
EvanKomp/quickq
Prediction of partition functions using trained ML estimators
EvanKomp/cse541_hw
EvanKomp/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
EvanKomp/dsmcer_guest_lecture
Hyperparameter optimization lecture
EvanKomp/dvc_demo
EvanKomp/FriendGems
Software to host a private database and UI for friends to share and rate their hidden gems
EvanKomp/GANdy
This repository estimates uncertainty using GANs and other machine learning models such as GPs and BNNs.
EvanKomp/haddock3
Official repo of the modular BioExcel version of HADDOCK
EvanKomp/molscore
Provide metrics on the depth and breadth of a set of molecules
EvanKomp/MOLSIM-2020
Repository for students enrolled in Molsim Winter 2020
EvanKomp/NOAA_storm_data
Pull and extract NOAA storm data fro the purposes of the C-HACK tutorial
EvanKomp/openfold
Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
EvanKomp/prelim_exam_review
Data and notebook acting on the data for the review paper. See readme
EvanKomp/psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
EvanKomp/test
EvanKomp/tfkeras_tutorial
Valleau lab tensorflow keras tutorial. Basics of machine learning and making neural networks.
EvanKomp/tutorials
EvanKomp/UWrc.github.io
The best research computing website in all the land.
EvanKomp/ValidProt
Validating protein pair functionality