abhirup86 Goto Github PK
Name: Abhirup Patra
Type: User
Company: Shell USA
Bio: Researcher, Computational Materials Science and Machine Learning, Shell USA
Location: New York, NY, USA
Name: Abhirup Patra
Type: User
Company: Shell USA
Bio: Researcher, Computational Materials Science and Machine Learning, Shell USA
Location: New York, NY, USA
Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.
Implementation of Geometric Clifford Algebra Network (https://doi.org/10.48550/arXiv.2302.06594)
Prediction of binding affinity prediction of small molecules against specific kinase using a message passing neural network.
A mathematical look on density-functional theory and DFTK
Exploring Keras functional API to build a multi-output model to predict race, gender and sex on UTK Face dataset.
This project focuses on identifying conformers of a molecule using RDKit and CREST
A collection of tools for neural compression enthusiasts. Featuring my work on Bits-Back coding with diffusion models, see projects/bits_back_diffusion.
Programs to calculate phys-chem properties of synthetic peptides and proteins: isoelectric point and extinction coefficients.
Repository for participants of the "Python software engineering" training
QML: Quantum Machine Learning
SNIG: Accelerated Large Sparse Neural Network Inference using Task Graph Parallelism
A library for easy and efficient manipulation of tensor networks.
This repository contains demos I made with the Transformers library by HuggingFace.
Building classification and regression models to predict quality and type of the wine.
Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022
Python API for the extended tight binding program package
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
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.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.