Rajarshi Guha (rajarshi)

rajarshi

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Location:Boston, MA

Home Page:blog.rguha.net

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Rajarshi Guha's starred repositories

obsidian

Algorithmic process optimization and AI experiment design

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llamol

Offical repository for the paper "Llamol: a dynamic multi-conditional generative transformer for de novo molecular design" (https://doi.org/10.1186/s13321-024-00863-8)

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data_for_chem

Data for our paper "Chemical Reaction Practicality Judgment via Deep Symbol Artificial Intelligence"

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minisom

:red_circle: MiniSom is a minimalistic implementation of the Self Organizing Maps

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COATI

COATI: multi-modal contrastive pre-training for representing and traversing chemical space

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mol_ga

Simple, lightweight package for genetic algorithms on molecules

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awesome-pretrain-on-molecules

[IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models

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prql

PRQL is a modern language for transforming data — a simple, powerful, pipelined SQL replacement

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s5cmd

Parallel S3 and local filesystem execution tool.

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aws-batch-python-tutorial

A tutorial for running python scripts using AWS Batch

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vhs

Your CLI home video recorder đź“Ľ

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ESP_DNN

A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces

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FriendsDontLetFriends

Friends don't let friends make certain types of data visualization - What are they and why are they bad.

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dataset_difficulty

"Understanding Dataset Difficulty with V-Usable Information" (ICML 2022, outstanding paper)

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python-patterns

A collection of design patterns/idioms in Python

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aurora-data-api

A Python DB-API 2.0 client for the AWS Aurora Serverless Data API

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cheminformatics-toolkit-equivalence

Resources for benchmarking cheminformatics toolkits for equivalent molecule processing behavior

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bypass-paywalls-chrome

Bypass Paywalls web browser extension for Chrome and Firefox.

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tldraw

SDK for creating whiteboards and canvas experiences on the web.

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numexpr

Fast numerical array expression evaluator for Python, NumPy, Pandas, PyTables and more

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libtree

ldd as a tree

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diagrams

:art: Diagram as Code for prototyping cloud system architectures

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vald

Vald. A Highly Scalable Distributed Vector Search Engine

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math-with-slack

Rendered math (MathJax) with Slack's desktop client

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ASAP

Program for the analysis and visualization of whole-slide images in digital pathology

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FIt-SNE

Fast Fourier Transform-accelerated Interpolation-based t-SNE (FIt-SNE)

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cocktailApp

Shiny App to Discover Cocktails.

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emacs-anywhere

Configurable automation + hooks called with application information

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HdrHistogram

A High Dynamic Range (HDR) Histogram

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castnow

commandline chromecast player

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