jlaw9
Research Scientist at the National Renewable Energy Laboratory
National Renewable Energy LaboratoryGolden, CO
Pinned Repositories
problem-solving-2018
prot_stability_engineering
Using ML to engineer proteins to be more stable
rl_materials
upper-bound-energy-gnn
GNN for predicting an upper bound of the relaxed energy for a given unrelaxed structure
Beeline
BEELINE: evaluation of algorithms for gene regulatory network inference
multi-species-GOA-prediction
Software for predicting GO annotations using a multi-species network.
SARS-CoV-2-network-analysis
Software framework for analysis of SARS-CoV-2 molecular networks
tox_signaling_networks
Code for building and evaluating toxicant signaling networks.
rlmolecule
A reinforcement learning library for material and molecule optimization
jlaw9's Repositories
jlaw9/upper-bound-energy-gnn
GNN for predicting an upper bound of the relaxed energy for a given unrelaxed structure
jlaw9/prot_stability_engineering
Using ML to engineer proteins to be more stable
jlaw9/rl_materials
jlaw9/chemview
The new generation molecular viewer for IPython notebook
jlaw9/chomper
Internet blocker for the Linux desktop.
jlaw9/crystal-gnn
Work in progress on graph neural networks for crystal energy prediction
jlaw9/crystal-gnn-nfp-0.3
jlaw9/CyGraphSpace
A GraphSpace app for Cytoscape
jlaw9/deepNF
Deep Network Fusion (deepNF)
jlaw9/doranet
jlaw9/EdgeLinker
jlaw9/ensemble_integration
Integration of diverse datasets for building heterogeneous ensembles.
jlaw9/fairseq
Facebook AI Research Sequence-to-Sequence Toolkit written in Python.
jlaw9/fairseq-uniparc
Fairseq modeling for protein function prediction from primary sequence
jlaw9/fungcat-function-prediction
jlaw9/gapn-engineering
Using language models to engineer the gapn enzyme to switch from the cofactor NADPH to NADH.
jlaw9/geneontology.github.io
Repository for storing GO documentation, directly available through the general GO site
jlaw9/gpdPerm
improved permutation p-value estimates, python port from originally published matlab code
jlaw9/graph-env
Reinforcement learning for combinatorial optimization over directed graphs
jlaw9/m2p
jlaw9/polyID
jlaw9/ProteinMPNN
Code for the ProteinMPNN paper
jlaw9/rWikiPathways
R package for WikiPathways API
jlaw9/SARS-CoV-2-network-analysis
Software framework for analysis of SARS-CoV-2 molecular networks
jlaw9/sars_ppi
jlaw9/spin_gnn
Code for building a graph neural network to predict atom spin
jlaw9/ubiquitous-broccoli
Repository for trying things like subtrees and submodules out
jlaw9/ubiquitous-broccoli-2
Repo for trying out subtree, submodule, and git-subrepo
jlaw9/volume_only_relaxations
Find the volume with the lowest energy using single-point scf calculations
jlaw9/ysi_prediction_flask
A flask app to support ysi prediction online