Pinned Repositories
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
RossVerploegh's Repositories
RossVerploegh/Authenticated-Full-Stack-Streamlit
Repo for my personal site
RossVerploegh/awesome-materials-informatics
Curated list of known efforts in materials informatics
RossVerploegh/cats
RossVerploegh/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.
RossVerploegh/daetools
Import from daetools svn
RossVerploegh/FitSNAP
Software for generating SNAP machine-learning interatomic potentials
RossVerploegh/fuckitpy
The Python error steamroller.
RossVerploegh/git-secret
:busts_in_silhouette: A bash-tool to store your private data inside a git repository.
RossVerploegh/gl-matrix
Javascript Matrix and Vector library for High Performance WebGL apps
RossVerploegh/hacking-dask
"Hacking Dask" tutorial materials
RossVerploegh/idesolver
A general-purpose numerical integro-differential equation solver
RossVerploegh/maml
Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
RossVerploegh/mof-adsorbate-initializer
Python code to initialize adsorbates on MOFs
RossVerploegh/openmct
A web based mission control framework.
RossVerploegh/PoreMatMod.jl
a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent crystal for a query fragment, then align and install a replacement fragment in its place.
RossVerploegh/pyDOE2
Design of experiments for Python
RossVerploegh/pymoo
NSGA2, NSGA3, R-NSGA3, MOEAD, Genetic Algorithms (GA), Differential Evolution (DE), CMAES, PSO
RossVerploegh/PyXtal_FF
Machine Learning Interatomic Potential Predictions
RossVerploegh/QMOF
Quantum MOF (QMOF) databasae
RossVerploegh/RASPA2
Classical molecular simulation code
RossVerploegh/REFPROP-cmake
Small repo with CMake build system for building REFPROP shared library
RossVerploegh/SeleniumBase
✅ 📊 A complete framework for Web-UI testing. 💠 Fast, easy, and reliable. (Python)
RossVerploegh/smilesDrawer
A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.
RossVerploegh/spglib
C library for finding and handling crystal symmetries
RossVerploegh/streamlit-aggrid
Implementation of Ag-Grid component for Streamlit
RossVerploegh/streamlit_logging_output_example
An example of how to show console output inside streamlit app.
RossVerploegh/tobacco_3.0
RossVerploegh/torch-dftd
pytorch implementation of dftd2 & dftd3
RossVerploegh/tripplite
Python USB HID interface to Tripplite UPS battery backups.
RossVerploegh/VOID
LIbrary to dock molecules in crystal structures, including nanoporous materials