jlaw9

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/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