TyBalduf

QM developer for the Jaguar team at Schrodinger.

Schrodinger IncNew York

Pinned Repositories

Stilde-Interpretation-and-Visualization
A program to sort and analyze large amounts of specific rotation analysis data. Then, using PyMol to superimpose vectors from the sorted data set onto molecules
Language:Python1 1 01
pint
Operate and manipulate physical quantities in Python
Language:Python2.3k 42 1.3k452
AutoDiff
Test Program to implement Truncated Power Series Algebra objects
Language:Python0 0 00
avogenerators
Python input file generators for Avogadro 2
Language:Python0 0 00
CitationHelperForSE
research paper citation helper for StackExchange
Language:JavaScript0 0 00
EZElec
Simple electronic structure package.
Language:Python0 1 00
IdealGas
Simple Ideal Gas Law calculator. Testing out Julia and Unitful.jl.
Language:Julia0 1 00
Python_Primer
Tutorial Jupyter Notebook for learning Python
Language:Jupyter Notebook0 1 00
Ty_CV
Draft Curriculum Vitae
Language:TeX00
xtb
Semiempirical Extended Tight-Binding Program Package
Language:Fortran00

TyBalduf's Repositories

TyBalduf/AutoDiff
Test Program to implement Truncated Power Series Algebra objects
Language:Python0 0 00
TyBalduf/avogenerators
Python input file generators for Avogadro 2
Language:Python0 0 00
TyBalduf/CitationHelperForSE
research paper citation helper for StackExchange
Language:JavaScript0 0 00
TyBalduf/EZElec
Simple electronic structure package.
Language:Python0 1 00
TyBalduf/IdealGas
Simple Ideal Gas Law calculator. Testing out Julia and Unitful.jl.
Language:Julia0 1 00
TyBalduf/Python_Primer
Tutorial Jupyter Notebook for learning Python
Language:Jupyter Notebook0 1 00
TyBalduf/Ty_CV
Draft Curriculum Vitae
Language:TeX00
TyBalduf/xtb
Semiempirical Extended Tight-Binding Program Package
Language:Fortran00