Python wrapper for the PubChem PUG REST API.
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Apr 12, 2024 - Python
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pubchem
Here are 37 public repositories matching this topic...
🥇Samsung AI Challenge 2021 1등 솔루션입니다🥇
competition
deep-learning
molecular-structures
pytorch
transformer
samsung
pubchem
molecular
dacon
pytorch-lightning
wandb
deberta
molecular-property-prediction
pubchemqc
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Updated
Nov 12, 2021 - Python
Python library and command-line tool for extracting compounds from scientific literature. Written in Python.
python
natural-language-processing
named-entity-recognition
pdf-files
pubchem
chemspider
ner
extract-entities
chemical-entities
ocsr
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Updated
Jun 1, 2020 - Python
PIDGIN Version 2: Prediction IncluDinG INactivity: Version 2 (LEGACY VERSION)
cheminformatics
random-forest
molecule
target
weight
pubchem
chemoinformatics
target-predictions
target-prediction
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Updated
Jul 19, 2019 - Python
A convenient wrapper around PubChem PUG REST API that allows to search for many compound properties available at PubChem with ease
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Updated
Nov 30, 2017 - Python
chemical identifiers (CAS, PubChemID, SMILES,InChI, InChI keys, names) from text search
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Updated
Nov 23, 2024 - Julia
NXOntology data: making ontologies accessible as simple JSON files
python
taxonomies
graphs
networkx
obo
networks
pubchem
ontologies
hierarchies
network-biology
nxontology
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Updated
Nov 1, 2024 - Jupyter Notebook
Rust data structures and client for the PubChem REST API
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Updated
Mar 20, 2023 - Rust
NCBI PubChem to BEL
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Updated
May 1, 2019 - Python
Tool for finding similar chemical compounds based on their smiles representation
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Updated
Dec 8, 2022 - Python
This is a project that scrapes PubChem data for GHS hazard codes given CAS numbers
os
requests
cas
tkinter
scrape
pubchem
regular-expressions
dataframe
ncbi
chemicals
beautifulsoup4
pandas-python
ghs
hazards
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Nov 7, 2021 - Jupyter Notebook
Light-weight browser extension to copy random molecule data from trusted sources that can be used by scientists and enthusiasts alike.
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Apr 6, 2024 - Svelte
A collection of Alfred workflows
macos
alfred
alfred-workflow
fritzbox
smart-home
pubchem
simpsons
devonagent
pubchem-database
molar-mass
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Apr 3, 2024 - Shell
Empowering Drug Research with AI and Collaboration
javascript
typescript
ai
nextjs
neon
chartjs
postgresql
nvidia
rdkit
pubchem
resend
prisma
tailwind
tailwindcss
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Sep 8, 2024 - TypeScript
Quickly find chemical information using the PubChem API
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Jul 31, 2024 - Python
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