pubchem

affjljoo3581/Samsung-AI-Challenge-for-Scientific-Discovery

🥇Samsung AI Challenge 2021 1등 솔루션입니다🥇

gorgitko/molminer

Python library and command-line tool for extracting compounds from scientific literature. Written in Python.

lhm30/PIDGINv2

PIDGIN Version 2: Prediction IncluDinG INactivity: Version 2 (LEGACY VERSION)

mawansui/pubchemprops

A convenient wrapper around PubChem PUG REST API that allows to search for many compound properties available at PubChem with ease

longemen3000/ChemicalIdentifiers.jl

chemical identifiers (CAS, PubChemID, SMILES,InChI, InChI keys, names) from text search

related-sciences/nxontology-data

NXOntology data: making ontologies accessible as simple JSON files

bioclipse/bioclipse.cheminformatics

Bioclipse Cheminformatics Feature

althonos/pubchem.rs

Rust data structures and client for the PubChem REST API

bio2bel/pubchem

NCBI PubChem to BEL

MysterionRise/pubchem-finder

Tool for finding similar chemical compounds based on their smiles representation

chadr1989/GHS-codes-from-CAS-numbers

This is a project that scrapes PubChem data for GHS hazard codes given CAS numbers

radi0sus/Alfred_Workflows

A collection of Alfred workflows

vabe/chimie

Light-weight browser extension to copy random molecule data from trusted sources that can be used by scientists and enthusiasts alike.

NCBI-Hackathons/PubChem_WikiData_Interoperability

helping data and metadata travel between PubChem and Wikidata

preciousimo/RxVision

Empowering Drug Research with AI and Collaboration

schurerlab/OntoJog

OntoJog

sinagilassi/PubChemQuery

Quickly find chemical information using the PubChem API

itsNileshHere/Drug-Discovery

Drug Discovery model targeting the SARS coronavirus

jonasrenault/cprex

Chemical Properties Relation Extraction

Lachiemckbioinfo/KEGGChem

KEGG-Chem is a Python program designed to retrieve KEGG compounds and associated data using an input of KEGG orthologues or modules, and can also retrieve SMILES, SDF files, and more from PubChem.

luqmanzaceria/ligand-docking-script

Computational Drug Screening Platform

ManuelXDuval/paracelsus

in silico medicinal chemistry.

omnaest/PubChem4J

REST API client for the pubchem api

RehanKhan-007/NLP

Natural Language Processing

vvrubel/pubchem-extractor

Tools for exploring Pubchem databases

beepoduck/PubChem-LLM-Retrieval

This Github repository holds the supporting documents for the paper "Evaluation of search-enabled Pre-trained Large Language Models on retrieval tasks for the PubChem Database"

Benjed/CH3mculator

CH3mculator is a windows desktop application for stoichiometric calculations.

fadhil-riyanto/chemistry

chemistry and medicine datasheet library

jonasrenault/pubchem-api-crawler

Python client for PubChem's API to crawl compounds and their properties using a molecular formula search query.

jonathanfernandi/Capsaicin

This repository contains Jonathan et al.'s AoL (Assurance of Learning) Project for SCIE6062001 - Computational Biology Course. This project has been declared to have passed with a high distinction (score: 100, grade: A).

muthuvenkat/CidToChebi

tkruer/ChemDataScraper

The start of making lab reports easier. Pull data from the PubChem API.

netluo/go-pubchem

This project provides a Go-based PubChem API library designed to simplify the process of obtaining compound information from a PubChem database. With this library, developers can easily query and extract various attribute data of compounds.

Suryansh-23/Chemistryphile

A Web App that allows the user to search for 2D & 3D structure of over 100 million Compounds, get briefed about the constituent elements of the compound in an organized periodic table.

zachcp/sparql-explore

explorations with sparql