Panda-DaLong

Pinned Repositories

ABF-example-files-for-NAMD-and-OpenMM
Language:Python0 0 00
awesome-cheatsheets
超级速查表 - 编程语言、框架和开发工具的速查表，单个文件包含一切你需要知道的东西 :zap:
Language:Shell0 0 00
cnt-lipid14-analysis
Analysis tools for simulations of carbon nanotubes (CNTs) in lipid membranes modeled with the Lipid14 force field.
Language:Python0 0 00
CNT_milestoning_method
Language:Jupyter Notebook0 0 00
Frontier-Expansion-Sampling
Language:Python0 0 00
jarzynski
Simulations based on Jarzynski's inequality for an Advanced Statistical Physics course
Language:Jupyter Notebook0 0 00
MD-permeation
MD-permeation: a FORTRAN code to analyze MD simulation trajectories and identify permeation events for water molecules. List of Authors Carlos R. S. Camilo, José R. Ruggiero, Alexandre S. de Araujo Department of Physics, IBILCE, São Paulo State University (UNESP) Citation If you use MD-permeation in your research, we ask that you cite the following article: C.R.S. Camilo, J.R. Ruggiero, and A.S. de Araujo. 2021. A method for detection of permeation events in Molecular Dynamics simulations of lipid bilayers. bioRxiv doi:10.1101/2021.01.20.427278
Language:Fortran0 0 00
MD_methods-and-analysis
Repository for MD methods and analysis from submitted or published work
Language:Rich Text Format0 0 00
MDNotebooks
Jupyter Notebooks for Molecular Dynamics
Language:Tcl0 0 00
miniomm
A simple OpenMM wrapper for common-case MD runs
Language:Python0 0 00

Panda-DaLong's Repositories

Panda-DaLong/ABF-example-files-for-NAMD-and-OpenMM
Language:Python0 0 00
Panda-DaLong/awesome-cheatsheets
超级速查表 - 编程语言、框架和开发工具的速查表，单个文件包含一切你需要知道的东西 :zap:
Language:Shell0 0 00
Panda-DaLong/cnt-lipid14-analysis
Analysis tools for simulations of carbon nanotubes (CNTs) in lipid membranes modeled with the Lipid14 force field.
Language:Python0 0 00
Panda-DaLong/CNT_milestoning_method
Language:Jupyter Notebook0 0 00
Panda-DaLong/Frontier-Expansion-Sampling
Language:Python0 0 00
Panda-DaLong/jarzynski
Simulations based on Jarzynski's inequality for an Advanced Statistical Physics course
Language:Jupyter Notebook0 0 00
Panda-DaLong/MD-permeation
MD-permeation: a FORTRAN code to analyze MD simulation trajectories and identify permeation events for water molecules. List of Authors Carlos R. S. Camilo, José R. Ruggiero, Alexandre S. de Araujo Department of Physics, IBILCE, São Paulo State University (UNESP) Citation If you use MD-permeation in your research, we ask that you cite the following article: C.R.S. Camilo, J.R. Ruggiero, and A.S. de Araujo. 2021. A method for detection of permeation events in Molecular Dynamics simulations of lipid bilayers. bioRxiv doi:10.1101/2021.01.20.427278
Language:Fortran0 0 00
Panda-DaLong/MD_methods-and-analysis
Repository for MD methods and analysis from submitted or published work
Language:Rich Text Format0 0 00
Panda-DaLong/MDNotebooks
Jupyter Notebooks for Molecular Dynamics
Language:Tcl0 0 00
Panda-DaLong/miniomm
A simple OpenMM wrapper for common-case MD runs
Language:Python0 0 00
Panda-DaLong/openmm-customtools
Some CustomBond and CustomIntegrator classes for collective varible defining and enhanced sampling
Language:Python0 0
Panda-DaLong/openmm-scripts-amoeba
:microscope: OpenMM scripts for polarisable molecular dynamics with the AMOEBA force field
Language:Python0 0
Panda-DaLong/openmm-tutorial-msbs
OpenMM tutorial for the MSBS course
Language:Jupyter Notebook0 0
Panda-DaLong/openmmforcefields
CHARMM and AMBER forcefields for OpenMM (with small molecule support)
Language:Python0 0
Panda-DaLong/software-development
A primer on software development best practices for computational chemistry
0 0
Panda-DaLong/solvation-analysis
A set of functions and analysis classes for solvation structure analysis
Language:Python0 0