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Name: Anders Steen Christensen
Type: User
Company: Quantum Consulting by Christensen
Location: Basel, Switzerland
Blog: www.qmlcode.org
Name: Anders Steen Christensen
Type: User
Company: Quantum Consulting by Christensen
Location: Basel, Switzerland
Blog: www.qmlcode.org
A stripped-down set of just antechamber, sqm, and tleap.
Program to estimate proton affinities for amines using machine learning
Readme
Personal website
Appcelerator Titanium 5.0.0 Sample App
Template-directed automatic generation of transition state structures.
Latex Beamer Template for Presentations (University of Basel, Department of Mathematics and Computer Science)
Example of how to embed gifs/videos into latex beamer
Bags of spatial spectra (BOSS); a continuous, differentiable two- and three-body ML representation for molecules
PHAISTOS module containing an implementation of the CamShift chemical shift predictor
Parsers and algorithms for computational chemistry logfiles
Wrapper for running DFTB calculations with CHARMM
CHARMM36/EEF1-SB force fields for PHAISTOS
Machine-learning corrected CHARMM36-EEF1/SB implementation for PHAISTOS.
Script to correct connectivity in SDF files via NBO calculations
Lightweight F2PY implementation of Cholesky solver that compiles with parallel MKL.
[Xcode] My beautiful Xcode Code Snippets. Please contribute!
Derivation of the DFTB3/CPE gradient.
Chemical Potential Equalization // DFTB source code
Personal test for a C wrapper for som dank fortran code yall
Data files for the Inferential Protein Structure Determination Using Chemical Shifts project
Simple Kernel Ridge Regression to calculate PBE0/def2-TZVP energies from DFTB3 calculation. Kernel is written in OpenMP parallel F90, yo.
Framework for Bayesian inference of DFTB parameters using DFTB+.
Wrapper for Stephan Grimme's DFT-D3 program (for easy interface to QM programs).
ML implementation find errors in molecular-mechanics force fields and semi-empirical QM methods.
Wrapper for cPickels in Python2
Free-Energy Perturbation with FML
BFGS fitter in PYTHON to fit MNDO/d parameters
F90 implementation of loop-up a table
Some optimized functions for machine learning, primarily written using OMP parallel F2PY wrappers and parallel MKL calls.
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.