Pinned Repositories
academicpages.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
ai-science-training-series
ALCF AI tutorial
Autobahn
Repository for Autobahn: Automorphism Based Graph Neural Networks
benchmarking-gnns
Repository for benchmarking graph neural networks ML_2
caret
caret (Classification And Regression Training) R package that contains misc functions for training and plotting classification and regression models
deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
DeLinker
For graphical based drug design
Lanthanide-richness-vs-stability
The file contains code and requires data and instruction to run the code.
latticeDynamics
Python tools for phenomenological phonon calculations in the bulk and at surfaces
map4
The MinHashed Atom Pair fingerprint of radius 2
spriti523's Repositories
spriti523/academicpages.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
spriti523/ai-science-training-series
ALCF AI tutorial
spriti523/Autobahn
Repository for Autobahn: Automorphism Based Graph Neural Networks
spriti523/benchmarking-gnns
Repository for benchmarking graph neural networks ML_2
spriti523/caret
caret (Classification And Regression Training) R package that contains misc functions for training and plotting classification and regression models
spriti523/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
spriti523/DeLinker
For graphical based drug design
spriti523/Lanthanide-richness-vs-stability
The file contains code and requires data and instruction to run the code.
spriti523/latticeDynamics
Python tools for phenomenological phonon calculations in the bulk and at surfaces
spriti523/map4
The MinHashed Atom Pair fingerprint of radius 2
spriti523/ml-dft
A package for density functional approximation using machine learning.
spriti523/phononplotter
A tool for plotting phonon dispersion curves and phonon density of states.
spriti523/ProgrammingProjects
C++ Programming Tutorial in Chemistry
spriti523/prop_gen
A novel hybrid method for generating molecules with desired property scores.
spriti523/publication_fingerprint
Contains code for "“Comparative analysis of molecular fingerprint generation methods in drug synergy and sensitivity prediction"
spriti523/Python-Notebooks-for-Physical-Chemistry
Interactive Python Notebooks for Physical Chemistry
spriti523/qiskit-machine-learning
Quantum Machine Learning
spriti523/qiskit-nature
Quantum Nature
spriti523/qiskit-nature-pyscf
Documentation at https://qiskit-community.github.io/qiskit-nature-pyscf/
spriti523/qiskit-tutorials
A collection of Jupyter notebooks showing how to use the Qiskit SDK
spriti523/QiskitCompReal
small_code_on_real_qc
spriti523/Sampreeti-Bhattacharya.github.io-master
spriti523/ShakeNBreak
Defect structure-searching employing chemically-guided bond distortions
spriti523/solubility
ML_2_drug
spriti523/solubility-prediction-paper
solubility deep learning acs paper
spriti523/VQE_from_scratch
Tutorial on Variational Quantum Eigensolver (VQE). Originally created for QOSF Mentorship Screening Task Submission (Task 4, batch 2020).