Saikat Roy's Projects
anooplab wiki for beginners
ANI-1 neural net potential with python interface (ASE)
Collection of 'compound scripts' for use with the ORCA quantum chemistry software
The fast.ai course notebooks
Qchem/Gaussian Cube file visualization tool from command line
My dmenu build
config files of my system
My dwm build
Solve puzzles. Learn CUDA.
Consolidating and extending hosts files from several well-curated sources. You can optionally pick extensions to block pornography, social media, and other categories.
Library for local orbital scaling correction (LOSC).
Neovim config in lua
thermochemical contributions from ORCA calculations
The precomplex generator is a tool for obtaining suitable input structures for automated transition-state (TS) searches (precomplexes) based on single-ended reaction path optimization algorithms.
Periodic Table at the Terminal
Python program for aggregation and reaction
Crawford's Quantum Chemistry Exercises by Python approach
Quantum Chemistry Learning with Python
Automation Scripts for conformer Search and TS finding based on product structure
Config files for my GitHub profile.
A beautiful, simple, clean, and responsive Jekyll theme for academics
Suckless st build
Accurate Neural Network Potential on PyTorch