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zishengz.github.io Public template
Forked from alshedivat/al-foliohttp://zishengz.github.io
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gocia Public
Global Optimizer for Clusters, Interfaces, and Adsorbates
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echo Public
Electro-Chemical Optimizer
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vasp_raman_surf Public
A set of scripts for flexible Raman off-resonant activity calculation for surface slabs, using VASP as a DFT back-end.
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zishengz.github.io_old Public
Forked from qiubaiying/qiubaiying.github.ioBlog
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subnano_cluster_orr_ensemble Public
optimized structure of M4 (M=Pt,Pd,Au,Ag) supported on graphite
UpdatedMay 10, 2022 -
criticAnalyzer Public
python scripts for extracting key data from critic2 output
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molga-mpc Public
Molecular Genetic Algorithm for Metal Phthalocyanine
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jarvis Public
Forked from usnistgov/jarvisJARVIS-Tools: an open-source software package for data-driven atomistic materials design
Python Other UpdatedNov 13, 2020 -
pymatgen Public
Forked from materialsproject/pymatgenPython Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It i…
Python MIT License UpdatedNov 11, 2020 -
pyscf Public
Forked from pyscf/pyscfPython module for quantum chemistry
Python Apache License 2.0 UpdatedNov 4, 2020 -
jdftx Public
Forked from shankar1729/jdftxJDFTx: software for joint density functional theory
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aenet Public
Forked from atomisticnet/aenetAtomic interaction potentials based on artificial neural networks
Fortran Mozilla Public License 2.0 UpdatedOct 22, 2020 -
ase Public
Forked from yfyh2013/aseAtomic Simulation Environment - unofficial mirror from https://gitlab.com/ase/ase
Python Other UpdatedOct 17, 2020 -
ProgrammingProjects Public
Forked from CrawfordGroup/ProgrammingProjectsC++ Programming Tutorial in Chemistry
UpdatedOct 15, 2020 -
openbabel Public
Forked from openbabel/openbabelOpen Babel is a chemical toolbox designed to speak the many languages of chemical data.
C++ GNU General Public License v2.0 UpdatedMar 25, 2020 -
PGOPT Public
Forked from hczhai/PGOPTParallel global optimization of gas phase and surface systems
Python GNU General Public License v3.0 UpdatedOct 23, 2019 -
2019-Fall Public
Forked from SUSTech-Application/2019-Fallhttps://SUSTech-Application.github.io/2019-Fall
JavaScript MIT License UpdatedMar 21, 2019 -
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Quantum chemistry and solid state physics software package
Fortran GNU General Public License v2.0 UpdatedOct 15, 2018 -
honko-damagecalc Public
Forked from smogon/damage-calcPokemon games damage calculator
JavaScript MIT License UpdatedDec 6, 2016 -
TCCL-Code Public
Forked from zevanzhao/TCCL-CodeCode and scripts for theoretical and computational chemistry, developed in TCCL, Department of Chemistry, Tsinghua University. These scripts read the out put of ADF, CP2K, Dmol3, Gaussian, NWChem, …
Perl GNU General Public License v3.0 UpdatedNov 29, 2013
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