Name: Shoubhik Maiti
Type: User
Bio: Chemistry student; mainly interested in organic/computational chemistry and machine learning
Location: UK
autode
automated reaction profile generation
autode-gui
GUI for autodE
cgbind
metallocage construction and binding affinity calculations
chemfiles
Library for reading and writing chemistry files
ga
Partitioned Global Address Space (PGAS) library for distributed arrays
gausssum
GaussSum extracts and displays information from comp chem output files
geodesic-interpolate
Interpolation of molecular geometries through geodesics in redundant internal coordinate hyperspace for complex transformations
gromacs-windows
Precompiled Windows binaries for GROMACS
intel-cpu-patch
Provides a python script that can patch executables compiled with Intel compiler or Intel MKL, for better performance on AMD processors
molecular-modelling
prs-data
pygsm
Thermal and photochemical reaction path optimization and discovery
rdeditor-pyqt5
Simple RDKit molecule editor GUI using PySide
shoubhikraj
Config files for my GitHub profile.
stda-win
stda program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, and SF-sTD-DFT)
temporary
uv_vis_project
water-order
A fast, OpenMP parallelised C++ package that calculates the radial distribution of various local order parameters for water droplets from MD trajectories.
xtb
Semiempirical Extended Tight-Binding Program Package
xtb-copy
xtb-win-build
Aims to provide precompiled Windows binaries for xTB, xtb4stda and stda softwares developed by Grimme group
xtb4stda-win
sTDA-xTB Hamiltonian for ground state
xtb_ml_spectroscopy_prediction
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
š Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
Django
The Web framework for perfectionists with deadlines.
Laravel
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. ššš
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
Microsoft
Open source projects and samples from Microsoft.
Google
Google ā¤ļø Open Source for everyone.
Alibaba
Alibaba Open Source for everyone
D3
Data-Driven Documents codes.
Tencent
China tencent open source team.
