Pinned Repositories
apnet
Bootcamp2019
Central repository for 2019 Summer Data Science Bootcamp instructional materials.
charges_proj
CHBE 6745: Machine-learned atomic charges project
cloudmol
mol, but in the cloud
epnn
Electron-passing neural networks for charge partitioning in quantum chemistry
IsingMC
Metropolis Monte Carlo code for the 2D Ising model
nn-sapt
neural networks learning how to sapt
probability
Probabilistic reasoning and statistical analysis in TensorFlow
psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
psicode-hugo-website
soon to be replacement for psicode.org
derekmetcalf's Repositories
derekmetcalf/epnn
Electron-passing neural networks for charge partitioning in quantum chemistry
derekmetcalf/nn-sapt
neural networks learning how to sapt
derekmetcalf/apnet
derekmetcalf/Bootcamp2019
Central repository for 2019 Summer Data Science Bootcamp instructional materials.
derekmetcalf/charges_proj
CHBE 6745: Machine-learned atomic charges project
derekmetcalf/cloudmol
mol, but in the cloud
derekmetcalf/IsingMC
Metropolis Monte Carlo code for the 2D Ising model
derekmetcalf/probability
Probabilistic reasoning and statistical analysis in TensorFlow
derekmetcalf/psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
derekmetcalf/psicode-hugo-website
soon to be replacement for psicode.org