Topic: abinitio-simulations Goto Github
Some thing interesting about abinitio-simulations
Some thing interesting about abinitio-simulations
abinitio-simulations,Hybridized distance- and contact-based hierarchical protein folding
Organization: bhattacharya-lab
abinitio-simulations,AiiDA Plugin for ORCA
User: ezpzbz
abinitio-simulations,A simple way to calculate Gibbs free energy from Vasp calculations
User: ftherrien
abinitio-simulations,Workflow for the calculation of osmotic transport coefficients from enhanced sampling simulations
User: gabriele16
abinitio-simulations,Ph.D. in Theoretical and Computational Chemistry at IIT Kharagpur, PDRA-I at SNBNCBS, PDF-I at IIT Bombay, PDF-II at uOttawa, Visiting at UW
User: gourhari
abinitio-simulations,WIEN2k and Wannier90 Python Package
User: juferafo
abinitio-simulations,Provides a common API that shared by some ab initio software
Organization: mineralscloud
Home Page: https://mineralscloud.github.io/AbInitioSoftwareBase.jl/
abinitio-simulations,Express: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science community
Organization: mineralscloud
Home Page: https://mineralscloud.github.io/Express.jl/
abinitio-simulations,This package could handle the interaction with Quantum ESPRESSO software
Organization: mineralscloud
abinitio-simulations,Clean yet flexible MSc thesis template (developed in LaTeX via Sublime Text 3) intended for computational chemists
User: nellieat
abinitio-simulations,Software for processing Mayer bond orders.
User: pawelgoj
abinitio-simulations,Qt interface for agate: https://github.com/piti-diablotin/agate
User: piti-diablotin
abinitio-simulations,Docker image for DFT and MD codes
User: pthibaud
abinitio-simulations,Python scripts to postprocess Quantum Espresso calclations.
User: rashidrafeek
abinitio-simulations,An interface for ELK-Wannier90 calculations
User: rohkeaid
abinitio-simulations,BCGP_ECI(Bayesian Constrained Gaussian Proocess model for Extrapolations in CI methods)
User: sotayoshida
abinitio-simulations,Tight-Binding Kernel of Objets for SpinTronics Enhanced Research
Organization: spindynamics
abinitio-simulations,VASP structure relaxations bash and gnuplot scripts.
User: sufyanshk
abinitio-simulations,Utilities for ab initio modeling suite CRYSTAL, developed in Turin University
Organization: tilde-lab
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