nateharms Goto Github PK
Name: Nate Harms
Type: User
Company: Valo Health
Bio: Data Scientist in Drug Discovery
Location: Boston, MA
Name: Nate Harms
Type: User
Company: Valo Health
Bio: Data Scientist in Drug Discovery
Location: Boston, MA
A fork from `https://gitlab.com/ase/ase.git`
Chemical kinetics, thermodynamics, and transport tool suite
Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
Database of ChemKED files for fundamental combustion experiments
Novel Coronavirus (COVID-19) Cases, provided by JHU CSSE
A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at AstraZeneca.
A "lite" version of Cantera used for getting AutoTST to work on XSEDE. NOT RECOMMENDED FOR ANY OTHER USE!
Basic template for using Flask on Heroku
ASE density-functional tight-binding calculator
A Django-powered website for Reaction Mechanism Generator (RMG)
a django site for kinetic models
nplotter: a fun way to visualize Spotify listening data
NWChem: Open Source High-Performance Computational Chemistry
Python interface to the ChemKED database format
Automatically test chemical kinetic models using experimental data
Open Source Implementation of the Unique Ring Families Algorithm (Cheminformatics)
The database of chemical parameters used with Reaction Mechanism Generator
Python version of the amazing Reaction Mechanism Generator (RMG).
This is a grouping of log files from discovery. Useful for testing the progressMetering ipython notebook.
Example files and module requirements for running SLURM in the West group
test
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.