published Published 6 days ago
MoSDeF-dihedral-fit: A lightweight software for fitting dihedrals within MoSDeF
Python
published Published 4 months ago
cppdlr: Imaginary time calculations using the discrete Lehmann representation
C++
published Published 5 months ago
NLSE: A Python package to solve the nonlinear Schrödinger equation
Python Jupyter Notebook JavaScript
published Published 5 months ago
VOTCA: multiscale frameworks for quantum and classical simulations in soft matter
Python Gnuplot C++
published Published 5 months ago
Catalyst: a Python JIT compiler for auto-differentiable hybrid quantum programs
Python
published Published 9 months ago
HofstadterTools: A Python package for analyzing the Hofstadter model
Python
published Published about 1 year ago
QMCTorch: a PyTorch Implementation of Real-Space Quantum Monte Carlo Simulations of Molecular Systems
Python
published Published about 1 year ago