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anishrao.github.io

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auto-paper

The aim of auto-paper is to give you tips, tricks, and tools to accelerate your publication rate and improve publication quality.

awesome-python-data-science

Probably the best curated list of data science software in Python.

awesome-self-driving-labs

A curated list of self-driving laboratories that combine hardware automation and artificial intelligence to accelerate scientific discovery.

awesome-tips

baybe

Bayesian Optimization and Design of Experiments

chemnlp

ChemNLP project

chemos

comp_physchem_basic

A mini-course offered to Undergrad chemistry students

datascience_interactive_python

Python interactive dashboards for learning data science

deepmind-research

This repository contains implementations and illustrative code to accompany DeepMind publications

edboplus

EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.

educational

helao-pub

hierachical automation of the natural sciences

honegumi

Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.

intro-to-machine-learning-in-chemistry

jabbrv

Automatic Journal Title Abbreviation Package for LaTeX

llm4scientificdiscovery

Call for participation in the impact of LLM for scientific discovery

making-figures

Tips on figure making, plus help with Inkscape and Matplotlib.

meep

free finite-difference time-domain (FDTD) software for electromagnetic simulations

miepython

Mie scattering of light off perfect spheres in python

ml_course

EPFL Machine Learning Course, Fall 2021

nanobem22

BEM solver for Maxwell equations

olympus

Olympus: a benchmarking framework for noisy optimization and experiment planning

phd

A list of resources on how/why to do a PhD

piflow

planets

plot2spec

an automatic plot digitizer for spectroscopy images (i.e. XANES and Raman)

pr-aunr-opt

Data and code for project on optimization of AuNRs

pr003_self_oscillations