Name: Moritz R Schäfer
Type: User
Company: University of Stuttgart
Bio: Doctoral student in theoretical chemistry.
Twitter: MoritzRSchfer1
Location: Germany
I am a Ph.D. student in theoretical chemistry at the University of Stuttgart. My research in the Kästner group is focused on ML potentials for atomistic simulations.
This research is part of the SPP 2363 and associated with the SimTech Graduate School. Stay tuned for some awesome software releases in the near future!
hva
Molecular harmonic vibrational analysis.
ips-examples
ipsuite
Machine Learned Interatomic Potential Tools
m-r-schaefer
molecular_geometry_analysis
Simple geometric analysis of coordinate input files
personal_website
pytorch_geometric
Geometric Deep Learning Extension Library for PyTorch
scfpy
A simple implementation of the SCF method.
trapz_errors
Error analysis for the trapezoidal integration method.
umbrella_integration
Python implementation of the umbrella integration method for potential of mean force (PMF) calculations
website
xyz2pov
Converts xyz coordinate files to povray scenes
React
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
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
Django
The Web framework for perfectionists with deadlines.
Laravel
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.
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
Microsoft
Open source projects and samples from Microsoft.
Google
Google ❤️ Open Source for everyone.
Alibaba
Alibaba Open Source for everyone
D3
Data-Driven Documents codes.
Tencent
China tencent open source team.
