ad1arsh
I am a PhD student at the University of Cambridge who is passionate about the intersection of digital technologies, chemistry and chemical engineering.
Pinned Repositories
CASP-and-dataset-performance
Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.
aizynthfinder
A tool for retrosynthetic planning
An-Introduction-to-Statistical-Learning
This repository contains the exercises and its solution contained in the book "An Introduction to Statistical Learning" in python.
ASKCOS
awesome-cheminformatics
A curated list of Cheminformatics libraries and software.
awesome-python-chemistry
A curated list of Python packages related to chemistry
chemprop
Message Passing Neural Networks for Molecule Property Prediction
CIRpy
Python wrapper for the NCI Chemical Identifier Resolver (CIR)
COVID_Hackathon
2020 Hackathon for exploring COVID19 datasets
Data-Analysis
Data Science Using Python
ad1arsh's Repositories
ad1arsh/pura
Clean chemical data quickly
ad1arsh/chemprop
Message Passing Neural Networks for Molecule Property Prediction
ad1arsh/xyz2mol
Converts an xyz file to an RDKit mol object
ad1arsh/Demo
ad1arsh/practical-statistics-for-data-scientists
Code repository for O'Reilly book
ad1arsh/ISLR-python
An Introduction to Statistical Learning (James, Witten, Hastie, Tibshirani, 2013): Python code
ad1arsh/rxn4chemistry
Python wrapper for the IBM RXN for Chemistry API
ad1arsh/aizynthfinder
A tool for retrosynthetic planning
ad1arsh/the-turing-way
Host repository for The Turing Way: a how to guide for reproducible data science
ad1arsh/PythonDataScienceHandbook
Python Data Science Handbook: full text in Jupyter Notebooks
ad1arsh/An-Introduction-to-Statistical-Learning
This repository contains the exercises and its solution contained in the book "An Introduction to Statistical Learning" in python.
ad1arsh/Data-Analysis
Data Science Using Python
ad1arsh/rdchiral
Wrapper for RDKit's RunReactants to improve stereochemistry handling
ad1arsh/awesome-python-chemistry
A curated list of Python packages related to chemistry
ad1arsh/awesome-cheminformatics
A curated list of Cheminformatics libraries and software.
ad1arsh/ASKCOS
ad1arsh/Python
All Algorithms implemented in Python
ad1arsh/datasciencecoursera
Repository for the JHU data science specialization
ad1arsh/ProgrammingAssignment2
Repository for Programming Assignment 2 for R Programming on Coursera
ad1arsh/COVID_Hackathon
2020 Hackathon for exploring COVID19 datasets
ad1arsh/CASP-and-dataset-performance
Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.
ad1arsh/rxnmapper
RXNMapper: Unsupervised attention-guided atom-mapping
ad1arsh/Repo-linked-to-RStudio
Test repo linked to RStudio
ad1arsh/datasharing
The Leek group guide to data sharing
ad1arsh/Temp_add_to_version_control
ad1arsh/hello-world
Introductory Repository
ad1arsh/The-Elements-of-Statistical-Learning-Python-Notebooks
A series of Python Jupyter notebooks that help you better understand "The Elements of Statistical Learning" book
ad1arsh/rexgen_direct
Template-free prediction of organic reaction outcomes
ad1arsh/learn-python3
Jupyter notebooks for teaching/learning Python 3
ad1arsh/ochem_predict_nn