Saikat248

Visiting Researcher at Centre of New Technologies UW

CeNTWarsaw

Pinned Repositories

ssa
Our implementation of Gillespie's Stochastic Simulation Algorithm (SSA)
Language:Python1 2 00
anooplab-docs
anooplab wiki for beginners
1 2 02
ASE_ANI
ANI-1 neural net potential with python interface (ASE)
Language:Python0 0 00
CompoundScripts
Collection of 'compound scripts' for use with the ORCA quantum chemistry software
00
course22
The fast.ai course notebooks
Language:Jupyter Notebook0 0 00
cube-visualizer
Qchem/Gaussian Cube file visualization tool from command line
Language:Python00
dmenu
My dmenu build
Language:C0 1 00
ptable
Periodic Table at the Terminal
Language:Python10
pyar
Python program for aggregation and reaction
Language:Python00
rksn_automate
Automation Scripts for conformer Search and TS finding based on product structure
Language:Python1 2 00

Saikat248's Repositories

Saikat248/anooplab-docs
anooplab wiki for beginners
1 2 02
Saikat248/ptable
Periodic Table at the Terminal
Language:Python10
Saikat248/rksn_automate
Automation Scripts for conformer Search and TS finding based on product structure
Language:Python1 2 00
Saikat248/ASE_ANI
ANI-1 neural net potential with python interface (ASE)
Language:Python0 0 00
Saikat248/CompoundScripts
Collection of 'compound scripts' for use with the ORCA quantum chemistry software
00
Saikat248/course22
The fast.ai course notebooks
Language:Jupyter Notebook0 0 00
Saikat248/cube-visualizer
Qchem/Gaussian Cube file visualization tool from command line
Language:Python00
Saikat248/dmenu
My dmenu build
Language:C0 1 00
Saikat248/dotfiles
config files of my system
Language:Shell0 1 00
Saikat248/pyar
Python program for aggregation and reaction
Language:Python00
Saikat248/dwm
My dwm build
Language:C1 0
Saikat248/GPU-Puzzles
Solve puzzles. Learn CUDA.
Language:Jupyter Notebook0 0
Saikat248/hosts
Consolidating and extending hosts files from several well-curated sources. You can optionally pick extensions to block pornography, social media, and other categories.
Saikat248/losc
Library for local orbital scaling correction (LOSC).
Saikat248/nvim.lua
Neovim config in lua
Language:Lua1 0
Saikat248/otherm
thermochemical contributions from ORCA calculations
Language:Python
Saikat248/precomplex_generator
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.
Language:Python0 0
Saikat248/PyCrawfordProgProj
Crawford's Quantum Chemistry Exercises by Python approach
Saikat248/PyQuantumChem
Quantum Chemistry Learning with Python
Language:Jupyter Notebook1 0
Saikat248/Saikat248
Config files for my GitHub profile.
1 0
Saikat248/Saikat248.github.io
A beautiful, simple, clean, and responsive Jekyll theme for academics
Language:HTML0 0
Saikat248/st
Suckless st build
Language:C1 0
Saikat248/torchani
Accurate Neural Network Potential on PyTorch
Language:Python0 0

Saikat248

Pinned Repositories

ssa

anooplab-docs

ASE_ANI

CompoundScripts

course22

cube-visualizer

dmenu

ptable

pyar

rksn_automate

Saikat248's Repositories

Saikat248/anooplab-docs

Saikat248/ptable

Saikat248/rksn_automate

Saikat248/ASE_ANI

Saikat248/CompoundScripts

Saikat248/course22

Saikat248/cube-visualizer

Saikat248/dmenu

Saikat248/dotfiles

Saikat248/pyar

Saikat248/dwm

Saikat248/GPU-Puzzles

Saikat248/hosts

Saikat248/losc

Saikat248/nvim.lua

Saikat248/otherm

Saikat248/precomplex_generator

Saikat248/PyCrawfordProgProj

Saikat248/PyQuantumChem

Saikat248/Saikat248

Saikat248/Saikat248.github.io

Saikat248/st

Saikat248/torchani