kimist99 Goto Github PK

ai4chem_course

EPFL CH-457 "AI for chemistry"

aipublishingbookdata-visualization

Data Visualization with Python

alchemical_pairs

Alchemical analysis of FDA approved drugs

ar-nepc-signature

This github contains and application to evaluate Androgen Receptor and Neuroendocrine Prostate Cancer Signatures in RNA-Seq data

autoviz

Automatically Visualize any dataset, any size with a single line of code. Created by Ram Seshadri. Collaborators Welcome. Permission Granted upon Request.

awesome-chatgpt-prompts

This repo includes ChatGPT prompt curation to use ChatGPT better.

biobertapi

bioinformatics_freecodecamp

bokeh-python-visualization

A Bokeh project developed for learning and teaching Bokeh interactive plotting!

chatgpt-data-science-prompts

A repository of 60 useful data science prompts for ChatGPT

chatgpt_chemistry_assistant

ChatGPT Chemistry Assistant

chembl_webresource_client

Official Python client for accessing ChEMBL API.

chemcrow-public

Chemcrow

cheminformatics

TMAP info

chemllmbench

cirpy

Python wrapper for the NCI Chemical Identifier Resolver (CIR)

cloome

CLOOME: contrastive learning unlocks bioimaging databases for queries with chemical structures

compbiodatasetsformachinelearning

A Curated List of Computational Biology Datasets Suitable for Machine Learning

comptox-toxcast-tcpl

US EPA's Toxicity Forecaster (ToxCast) Pipeline

covid-19_knime_jupyter_tableau

Make projections for covid 19 for the next 30 days by combining KNIME for data integration, jupyter to fit models and Tableau to create visualizations.

datakimist

Testing site for KDD

datakimist_30_days_of_code

Code and images from my 30 days of code challenge

dataprofessorcoursecode

Compilation of R and Python programming codes on the Data Professor YouTube channel.

datasharing

The Leek group guide to data sharing

decimer-python

Deep Learning for Chemical Image Recognition (DECIMER) - Python scripts

deepchembbb

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

deepdelta

DeepDelta is a pairwise deep learning approach that processes two molecules simultaneously and learns to predict property differences between two molecules.

drfp

An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.

drugdiscoveryprojects

repo of my projects applying ai to drug discovery

drugtax

Categorize small ligands according to chemical properties. Derive simple and explainable features. Only requires SMILEs as inputs.