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Corin Wagen (corinwagen)

corinwagen

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Home Page:corinwagen.github.io

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Corin Wagen's repositories

utilities

utilities for computational chemistry

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chromatics

view and analyze chromatography data

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presto

Python-based reactions in explicit solvent with trajectories via ONIOM

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pymsym

molecular point group symmetry lib

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PyQuiver

kinetic isotope effect prediction with Gaussian

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corinwagen.github.io

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k-means

simple implementation of k-means clustering

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quick-fuoss

rapid estimation of ion-pair dissociation constants

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TrumpTweets

investigating the effect of Donald J. Trump's tweets on the market

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bliss

a lightweight python package for speech-and-debate tournament tabulation

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JagDB

Version 2.0 of the famed JagDB (quiz bowl software for categorizing and viewing questions).

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MethylDackel

A (mostly) universal methylation extractor for BS-seq experiments.

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datasets_and_databases_4_MLPs

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libdlfind

libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library

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PyIsotopeCalculator

calculates isotope ratios given molecular formulas

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pyscf

Python module for quantum chemistry

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scratchpad

a place to keep random projects

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ssg

minimal static site generator

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staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

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