rossverploegh Goto Github PK

adafruit_max31865

Arduino Library for Adafruit MAX31865 RTD Sensor

adsorption_tools

Example tools for modeling adsorption processes using the API tools from http://adsorption.nist.gov

ambermini

A stripped-down set of just antechamber, sqm, and tleap.

authenticated-full-stack-streamlit

Repo for my personal site

awesome-materials-informatics

Curated list of known efforts in materials informatics

blender-chemicals

Draws chemicals in Blender using common input formats (smiles, molfiles, cif files, etc.)

brooks-mfc

Python driver for Brooks Instrument Mass Flow Controllers

camelot

A Python library to extract tabular data from PDFs

cats

cgcnn

Crystal graph convolutional neural networks for predicting material properties.

cif_check

Check crystal structures

cookiecutter-cms

Python-centric Cookiecutter for Molecular Computational Chemistry Packages

crystaltoolkit

Crystal Toolkit is an interactive web app that allows you to import, view, analyze and transform crystal structures and molecules, including a suite of reusable web components to make your own materials science web apps.

cvode

Sundials CVODE

daetools

Import from daetools svn

diffusionmap

C++ implementation of the Diffusion Map, with Python bindings

dyld_cache_extract

A macOS utility to extract dynamic libraries from the dyld_shared_cache of macOS and iOS.

fipy

FiPy is a Finite Volume PDE solver written in Python

fitsnap

Software for generating SNAP machine-learning interatomic potentials

fuckitpy

The Python error steamroller.

generalpurposescripts

General Purpose Scripts

git-secret

:busts_in_silhouette: A bash-tool to store your private data inside a git repository.

gl-matrix

Javascript Matrix and Vector library for High Performance WebGL apps

hacking-dask

"Hacking Dask" tutorial materials

idesolver

A general-purpose numerical integro-differential equation solver

learn-citrination

Training materials

mac-setup

Notes about setting up a new developer MacBook.

maml

Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.

mdanalysissandbox

user contributed analysis modules

ml_molsim2020

Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2020/index.html)