Topic: molecular-modelling Goto Github
Some thing interesting about molecular-modelling
Some thing interesting about molecular-modelling
molecular-modelling,Simple small molecular docking and conformation filtering tool.
User: conradhuebler
molecular-modelling,Practical Sessions problems for the Molecular Modelling course of the "Atomistic and Multiscale Computational Modelling" Master Degree. Course 2022-2023.
User: diegonti
molecular-modelling,ChemHTPS is an automated high-throughput screening platform for generating materials and chemical data
Organization: hachmannlab
Home Page: https://chemhtps.readthedocs.io/en/latest/
molecular-modelling,:zap: A repository containing research outputs from my computational chemistry Honours project.
User: jon-ting
molecular-modelling,A Python package for extracting and simulating diffuse scattering of X-rays in protein crystals
User: jvdhorn
molecular-modelling,Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.
User: kmcos
Home Page: https://github.com/kmcos/kmcos
molecular-modelling,Analysis of COVID19 Candidates using molecular descriptors from mol2 files
User: tonibois
Home Page: https://www.nature.com/articles/srep43738
molecular-modelling,A lightweight and easy to customize python package to perform pre- and post-processing of molecular modelling
User: xia-yijie
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