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docs Public
Forked from wandb/docsThe product documentation for Weights & Biases, published at https://docs.wandb.ai
SCSS Apache License 2.0 UpdatedApr 22, 2025 -
transformer-from-scratch Public
Building a transformer architecture from scratch
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Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
C++ GNU Lesser General Public License v3.0 UpdatedFeb 13, 2024 -
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mopac Public
Forked from openmopac/mopacMolecular Orbital PACkage
Fortran GNU Lesser General Public License v3.0 UpdatedJun 21, 2023 -
OpenRDM Public archive
An open-source library for reduced-density matrix-based analysis and computation
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gpu_programming_beginner Public
Forked from MolSSI-Education/gpu_programming_beginnerPython Other UpdatedJan 26, 2022 -
gpu_programming_intermediate Public
Forked from MolSSI-Education/gpu_programming_intermediatePython Other UpdatedNov 22, 2021 -
mo FBD6 pac_step Public
Forked from molssi-seamm/mopac_stepA SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC.
Python BSD 3-Clause "New" or "Revised" License UpdatedSep 17, 2021 -
openmopac.github.io Public
Forked from openmopac/openmopac.github.ioWebsite for the Molecular Orbital PACkage (MOPAC)
TeX BSD 3-Clause "New" or "Revised" License UpdatedSep 15, 2021 -
ChemistryFeaturization.jl Public
Forked from Chemellia/ChemistryFeaturization.jlUnified graph building and featurizing for Weave.jl, AtomicGraphNets.jl, and (maybe soon) more!
Julia MIT License UpdatedJun 8, 2021 -
MolSSI_project_FSHXF Public
Forked from pvzandbergen/MolSSI_project_FSHXFPython BSD 3-Clause "New" or "Revised" License UpdatedJun 7, 2021 -
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QCArchiveWebapps Public
Forked from MolSSI/QCArchiveWebappsQCArchive website (production on Azure)
Python GNU General Public License v3.0 UpdatedApr 16, 2021 -
gpu_programming_advanced Public
Forked from MolSSI-Education/gpu_programming_advancedPython Other UpdatedMar 2, 2021 -
AtomicGraphNets.jl Public
Forked from Chemellia/AtomicGraphNets.jlAtomic graph models for molecules and crystals in Julia
Julia MIT License UpdatedFeb 26, 2021 -
diffnets Public
Forked from bowman-lab/diffnetsSelf-supervised neural nets to understand protein mutations
Python GNU Lesser General Public License v3.0 UpdatedDec 6, 2020 -
python-data-analysis Public
Forked from MolSSI-Education/python-data-analysisShort lessons for data analysis using Python
Python Other UpdatedNov 18, 2020 -
2020-software-fellow-posters Public
Forked from MolSSI-Education/2020-software-fellow-postersJavaScript MIT License UpdatedJun 30, 2020 -
v2rdm_casscf Public
Forked from edeprince3/v2rdm_casscfA variational 2-RDM-driven CASSCF plugin to Psi4
C++ GNU General Public License v2.0 UpdatedJun 7, 2020 -
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PluginDFT Public
A dft plugin to Psi4 for testing new methods and algorithms
C++ BSD 3-Clause "New" or "Revised" License UpdatedSep 7, 2019 -
git_bootcamp Public
Forked from taylor-a-barnes/git_bootcampRepository for Git tutorial for MolSSI Software Fellows
BSD 3-Clause "New" or "Revised" License UpdatedAug 12, 2019
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