Pinned Repositories
mcpele
Monte Carlo and parallel tempering routines built on the pele foundation
pele
Python energy landscape explorer
.emacs.d
.xmonad
my xmonad config files
basins.jl
colloquium_committee_script
equiformer
[ICLR'23 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
hoomd-blue
Molecular dynamics and Monte Carlo soft matter simulation on GPUs.
julia_tutorial
nested_sampling
python based implementation of the nested sampling algorithm
spraharsh's Repositories
spraharsh/.emacs.d
spraharsh/.xmonad
my xmonad config files
spraharsh/basins.jl
spraharsh/colloquium_committee_script
spraharsh/equiformer
[ICLR'23 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
spraharsh/hoomd-blue
Molecular dynamics and Monte Carlo soft matter simulation on GPUs.
spraharsh/julia_tutorial
spraharsh/nested_sampling
python based implementation of the nested sampling algorithm
spraharsh/NLP-CSCI-2590-project
Course project for Natural Language Processing. Performance of an Attention-based Model on Atomic Systems
spraharsh/PyCG_DESCENT
Python wrapper for the Hager and Zang CG_DESCENT algorithm
spraharsh/PyMBAR.jl
A thin wrapper around the python PyMBAR
spraharsh/python_mc_pele
spraharsh/sundials
SUNDIALS is a SUite of Nonlinear and DIfferential/ALgebraic equation Solvers. This is a mirror of current releases, and development will move here eventually. Pull requests are welcome for bug fixes and minor changes.
spraharsh/vk_presentation_template
VK Beamer Presentation Template