Topic: lammps Goto Github
Some thing interesting about lammps
Some thing interesting about lammps
lammps,Phonon anharmonicity analysis from molecular dynamics
User: abelcarreras
Home Page: http://abelcarreras.github.io/DynaPhoPy/
lammps,LAMMPS interface for phonon calculations using phonopy
User: abelcarreras
Home Page: https://phonolammps.readthedocs.io
lammps,LAMMPS plugin for AiiDA
Organization: aiidaplugins
Home Page: https://aiida-lammps.readthedocs.io
lammps,GPUMD and LAMMPS helper functions for thermal computations
User: alexgabourie
lammps,Real time molecular dynamics in the browser using LAMMPS
User: andeplane
lammps,custom LAMMPS fix used for Brownian Dynamics Simulation (Overdamped Langevin)
User: anyuzx
lammps,A toolkit featured artificial intelligence × ab initio for computational chemistry research.
Organization: chenggroup
Home Page: http://wiki.cheng-group.net/ai2-kit_doc
lammps,Collective variables library for molecular simulation and analysis programs
Organization: colvars
Home Page: http://colvars.github.io/
lammps,Interatomic potential creating using DFT training data.
User: costrouc
Home Page: https://chrisostrouchov.com/dftfit
lammps,RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based on MATLAB language, including formatting the reactive force field parameters, statistic anasysis of structures, trajectories and mechanisms and output of the visualization files.
User: dadaoqiuzhi
lammps,A deep learning package for many-body potential energy representation and molecular dynamics
Organization: deepmodeling
Home Page: https://docs.deepmodeling.com/projects/deepmd/
lammps,Molecular dynamics proxy application based on Cabana
Organization: ecp-copa
lammps,Molecular dynamics proxy application based on Kokkos
Organization: ecp-copa
lammps,pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It is almost, but not quite, entirely unlike ASE, with some tools extending numpy/scipy. It has a set of powerful parsers and data types for storing calculation data.
User: elcorto
Home Page: https://elcorto.github.io/pwtools
lammps,Python toolkit for molecular dynamics analysis
Organization: gemdat-repos
Home Page: https://gemdat.readthedocs.io
lammps, Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.
User: henriasv
Home Page: https://henriasv.github.io/lammps-logfile
lammps,Gromacs to Lammps simulation converter
User: hernanchavezthielemann
lammps,Generating Deep Potential with Python
User: hsulab
Home Page: https://gdpx.readthedocs.io
lammps,A Python library and command line interface for automated free energy calculations
Organization: icams
lammps,A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
User: jewettaij
Home Page: http://www.moltemplate.org
lammps,Public development project of the LAMMPS MD software package
Organization: lammps
Home Page: https://www.lammps.org
lammps,Scripts, tools, documentation and supporting libraries and files for building pre-compiled LAMMPS packages
Organization: lammps
lammps,LAMMPS input from lammpstutorials.github.io
Organization: lammpstutorials
Home Page: https://lammpstutorials.github.io/
lammps,LAMMPS tutorials for both beginners and advanced users
Organization: lammpstutorials
Home Page: https://lammpstutorials.github.io/
lammps,Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Gromacs, NAMD, CHARMM, LAMMPS, TINKER, CNS/X-PLOR, Q, DESMOND, BOSS and MCPRO.
User: leelasd
Home Page: http://traken.chem.yale.edu/ligpargen/
lammps,a python package for the interfacial analysis of molecular simulations
User: marcello-sega
Home Page: https://marcello-sega.github.io/pytim/
lammps,LAMMPS pair style for Allegro deep learning interatomic potentials with parallelization support
Organization: mir-group
Home Page: https://www.nature.com/articles/s41467-023-36329-y
lammps,LAMMPS tutorials for Beginners
User: mrkllntschpp
lammps,LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample
User: nuwan-d
lammps,Required LAMMPS and MATLAB files for several molecular dynamics simulations.
User: nuwan-d
lammps,Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
User: nuwan-d
lammps,A project (and object) for storing, manipulating, and converting molecular mechanics data.
Organization: openforcefield
Home Page: https://docs.openforcefield.org/projects/interchange
lammps,Tool to build force field input files for molecular simulation
Organization: paduagroup
lammps,Python package to model and to perform topology optimization for graphene kirigami using deep learning
User: phanakata
lammps,Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
User: pierrehirel
Home Page: https://atomsk.univ-lille.fr
lammps,pyiron - an integrated development environment (IDE) for computational materials science.
Organization: pyiron
Home Page: http://pyiron.org
lammps,pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
Organization: pyiron
Home Page: https://pyiron-atomistics.readthedocs.io
lammps,Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
Organization: pyiron
Home Page: https://pylammpsmpi.readthedocs.io
lammps,Python library written in C++ for calculation of local atomic structural environment
Organization: pyscal
Home Page: https://pyscal.org
lammps,RadonPy is a Python library to automate physical property calculations for polymer informatics.
Organization: radonpy
lammps,For the conversion of crystal systems (as cifs) to LAMMPS inputs
User: rytheranderson
lammps,Visualization and editing of periodic molecular structure files.
User: sgsaenger
Home Page: https://sgsaenger.github.io/vipster
lammps,LAMMPS inputs and data files
User: simongravelle
Home Page: https://lammpstutorials.github.io/
lammps,NMRforMD is a python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.
User: simongravelle
Home Page: https://nmrformd.readthedocs.io/
lammps,Software Suite for Advanced General Ensemble Simulations
Organization: ssagesproject
lammps,VSCODE extension for language support of LAMMPS scripts
User: thfriedrich
Home Page: https://thfriedrich.github.io/lammps_vscode/
lammps,(NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.
User: tingliangstu
lammps,JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ
Organization: usnistgov
Home Page: https://pages.nist.gov/jarvis/
lammps,A wrapper for many computational codes of thermal conductivity
User: vanceeasleaf
Home Page: http://vanceeasleaf.github.io/aces/
lammps,针对开源模拟软件Lammps导出的数据文件,个人采用Python脚本进行数据处理并科研绘图,并取得相关的论文成果。
User: yuanbaoqiang
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