Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
Projects in Awesome Lists by NNairIITK
A curated list of projects in awesome lists by NNairIITK .
https://github.com/nnairiitk/enhanced_sampling_methods_tutorials
Tutorials of few enhanced sampling methods along with bash script to run the method in a single shot..
md metadynamics remd rest2 tamd tass umbellasampling
Last synced: 12 Oct 2024
https://github.com/nnairiitk/tcl_vmd_scripts
A few useful vmd trajectory analysis scripts
analysis scripts tcl trajectory vmd
Last synced: 09 Nov 2024
https://github.com/nnairiitk/bigdft
A git repository of the BigDFT launchpad project. (For feature development)
Last synced: 09 Nov 2024
https://github.com/nnairiitk/vreco_cpmd
CPMD Free Energy Surface Reconstruction
fortran fortran90 metadynamics
Last synced: 09 Nov 2024
https://github.com/nnairiitk/workshop_for_free-energy_calculations
Resources & Study materials are available presented at workshop FECCBS organised at IIT Kanpur, by Prof. Nisanth Nair
Last synced: 09 Nov 2024
https://github.com/nnairiitk/bash_scripts
Few important bash scripts which are useful to the server admin and analysis of trajectories as well.
Last synced: 09 Nov 2024
https://github.com/nnairiitk/create_passwordless_login_to_remote_server
A Bash Scrit to make password less login to remote sever using ssh-key.
Last synced: 09 Nov 2024
https://github.com/nnairiitk/documentation
A documentation project website for the codes produced / worked with in our lab.
Last synced: 09 Nov 2024