pkrouth

Prahlad K. Routh, Ph.D.'s repositories

Autoencoder4XAS

XAS Encoder

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dl-chem-101

Example implementations of common machine learning projects in chemistry.

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Fact_Extractor

Extract Facts using LM

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GOAT

Official Code Repository for the paper "Graph Ordering Attention Networks"

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mlxtend

A library of extension and helper modules for Python's data analysis and machine learning libraries.

NOASSERTION100

xraylarch

Larch: Applications and Python Library for Data Analysis of X-ray Absorption Spectroscopy (XAS, XANES, XAFS, EXAFS), X-ray Fluorescence (XRF) Spectroscopy and Imaging, and more.

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condacolab

Install Conda and friends on Google Colab, easily

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Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated framework for computational science using density functional theory, classical force-field/molecular dynamics and machine-learning.

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StructRepGen

Atomic Structure Generation from Reconstructing Structural Fingerprints

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topic-model-poc

Topic model on Judgements

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xafs_course2023

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chemical-formula-rs

This crate provides a simple way to parse and manipulate chemical formulas including weight percent and nested formulas.

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dgl

Python package built to ease deep learning on graph, on top of existing DL frameworks.

Apache-2.0000

eleg-weather-conky

Conky widget to display time and weather

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GNN-tutorial-APS-March-2023

These are the slides associated with the GNN tutorial at the APS March Meeting

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hiring-without-whiteboards

⭐️ Companies that don't have a broken hiring process

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humap

Hierarchical Uniform Manifold Approximation and Projection

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Install_Demeter

Manual for installing Demeter in Ubuntu 20.04(x64)

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lit-gpt

Hackable implementation of state-of-the-art open-source LLMs based on nanoGPT. Supports flash attention, 4-bit and 8-bit quantization, LoRA and LLaMA-Adapter fine-tuning, pre-training. Apache 2.0-licensed.

Apache-2.0000