aish-tan

aish-tan's Stars

• volkamerlab/teachopencadd

  TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data

  Language:Jupyter Notebook788209

• dahvida/AIC_Finder

  Code and scripts to employ Minimum Variance Sampling Analysis (MVS-A) to find Assay Interfering Compounds (AIC) in High Throughput Screening data

  Language:Python53

• ShuHuang/chemdatawriter

  ChemDataWriter is a transformer-based library for automatically generating research books in the chemistry area.

  Language:HTML141

• torbengutermuth/SmartChemist

  Language:Python71

• google-research/tuning_playbook

  A playbook for systematically maximizing the performance of deep learning models.

  27.5k2.3k

• TheAlgorithms/Python

  All Algorithms implemented in Python

  Language:Python195k45.9k

• understandable-machine-intelligence-lab/Quantus

  Quantus is an eXplainable AI toolkit for responsible evaluation of neural network explanations

  Language:Jupyter Notebook56675

• mcsorkun/ChemPlot

  A python package for chemical space visualization.

  Language:Jupyter Notebook11730

• mpimp-comas/utilities

  This repo is a collection of various common utilities for working with Python, chemical structures and databases.

  Language:Jupyter Notebook3

• NVIDIA/cheminformatics

  Facilitates searching, screening, and organizing large chemical databases

  Language:Jupyter Notebook16442

• LocalCitationNetwork/LocalCitationNetwork.github.io

  This web app aims to help scientists with their literature review using metadata from OpenAlex (OA), Semantic Scholar (S2) and Crossref (CR) in local citation networks.

  Language:JavaScript11015

• rdkit/UGM_2020

  Materials from the (virtual) 2020 RDKit UGM

  Language:Jupyter Notebook5222