ChemRacer
Postdoctoral Fellow The Edward S. Rogers Sr. Department of Electrical & Computer Engineering, St. George Campus Department of Chemical & Physical Sciences, Mi
ChemRacer's Stars
qiskit-community/qgss-2024
Qiskit Global Summer School 2024: The Path to Utility
evangelistalab/qforte
mcocdawc/chemcoord
A python module for manipulating cartesian and internal coordinates.
KanHatakeyama/qcl
ChemRacer/dipeptide_co2
cmsi/MateriAppsLive
Live Debian GNU/Linux System for MateriApps Applications
MSRG/qchem
Research codebase for 'Applications of noisy quantum computing and quantum error mitigation to "adamantaneland": a benchmarking study for quantum chemistry'.
NvChad/NvChad
Blazing fast Neovim config providing solid defaults and a beautiful UI, enhancing your neovim experience.
facebookresearch/faiss
A library for efficient similarity search and clustering of dense vectors.
materialsvirtuallab/m3gnet
Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.
Jammyzx1/psi4-nb
Notebook of introductory psi4 methods
dharmx/walls
All of my wallpapers in one repo.
SergeiVKalinin/UTK-Spring-2023---Automated-Experiment
Spring 2023 seminar on automated experiment
kb1dds/simplicialHomology
A simple Python 2.7 module for computing local and relative simplicial homology
ziatdinovmax/gpax
Gaussian Processes for Experimental Sciences
j2kun/computing-homology
Python code for the post "Computing Homology"
Syllo/nvtop
GPU & Accelerator process monitoring for AMD, Apple, Huawei, Intel, NVIDIA and Qualcomm
nvim-tree/nvim-tree.lua
A file explorer tree for neovim written in lua
nvim-lua/kickstart.nvim
A launch point for your personal nvim configuration
Kekun/primehack
Dolphin fork intended to give Metroid Prime Trilogy mouselook controls
dpayne/cli-visualizer
CLI based audio visualizer
aristocratos/bpytop
Linux/OSX/FreeBSD resource monitor
wookayin/gpustat
📊 A simple command-line utility for querying and monitoring GPU status
ellisalicante/GraphRewiring-Tutorial
This repository holds code and other relevant files for the Learning on Graphs 2022 tutorial "Graph Rewiring: From Theory to Applications in Fairness"
baoilleach/deepsmiles
DeepSMILES - A variant of SMILES for use in machine-learning
aspuru-guzik-group/selfies
Robust representation of semantically constrained graphs, in particular for molecules in chemistry
GUDHI/gudhi-devel
The GUDHI library is a generic open source C++ library, with a Python interface, for Topological Data Analysis (TDA) and Higher Dimensional Geometry Understanding.
jctops/understanding-oversquashing
CrawfordGroup/ccsd_lpno
Repo for Psi4Numpy CCSD-LPNO Response property script
nteract/papermill
📚 Parameterize, execute, and analyze notebooks