dhimmel/drugcentral

Converting DrugCentral data to Rephetio identifiers

Language: Jupyter Notebook - Size: 558 KB - Last synced: about 1 month ago - Pushed: about 7 years ago - Stars: 4 - Forks: 0

harirakul/chemlib

🧪 A comprehensive chemistry library for Python.

Language: Python - Size: 6.71 MB - Last synced: 16 days ago - Pushed: over 1 year ago - Stars: 54 - Forks: 13

dhimmel/drugbank

User-friendly extensions of the DrugBank database

Language: HTML - Size: 100 MB - Last synced: about 1 month ago - Pushed: about 5 years ago - Stars: 169 - Forks: 73

tjeng/high_throughput_screening

Interactively visualizing results from multi-dimensional data sets of chemical assay screening

Size: 4.28 MB - Last synced: 3 months ago - Pushed: about 4 years ago - Stars: 0 - Forks: 0

bhklab/PharmacoDB-JS

Search across publicly available datasets to find instances where a drug or cell line of interest has been profiled.

Language: JavaScript - Size: 24.8 MB - Last synced: about 2 months ago - Pushed: 5 months ago - Stars: 4 - Forks: 0

JonanthaW/CompoundsScraper

Language: Java - Size: 3.91 KB - Last synced: 4 months ago - Pushed: 4 months ago - Stars: 0 - Forks: 0

cmelab/planckton 📦

Reproducible exploration of organic photovoltaic morphology self-assembly using molecular dynamics.

Language: Python - Size: 1.35 MB - Last synced: 4 months ago - Pushed: 4 months ago - Stars: 5 - Forks: 6

evrimagaci/periodum-api

A database that compiles tons of information about elements and compounds.

Language: TypeScript - Size: 765 KB - Last synced: about 1 month ago - Pushed: about 2 years ago - Stars: 18 - Forks: 10

ManuelXDuval/paracelsus

in silico medicinal chemistry.

Language: R - Size: 798 KB - Last synced: 7 months ago - Pushed: over 1 year ago - Stars: 1 - Forks: 0

repodiac/german_compound_splitter

Compound splitter for German language ("Komposita-Zerlegung") based on large dictionary combined with highly efficient multi-pattern string search

Language: Python - Size: 24.4 KB - Last synced: 8 months ago - Pushed: almost 2 years ago - Stars: 16 - Forks: 2

diveshuttam/VSEPR-Models

A GUI to predict and draw molecular shapes using VSEPR theory (Class XI AISSCE Project)

Language: C++ - Size: 206 KB - Last synced: 10 months ago - Pushed: over 4 years ago - Stars: 2 - Forks: 1

mdcatapult/aurac-web-plugin

Browser plugin that can find, highlight and link to interesting life science things in web pages and PDFs.

Language: TypeScript - Size: 4.42 MB - Last synced: about 1 year ago - Pushed: over 1 year ago - Stars: 1 - Forks: 0

osofem/molecules

Get atoms from a molucular formula

Language: TypeScript - Size: 36.1 KB - Last synced: 2 days ago - Pushed: over 2 years ago - Stars: 2 - Forks: 1

dhimmel/unichem

A python package for mapping compounds via UniChem

Language: Python - Size: 219 KB - Last synced: about 1 month ago - Pushed: almost 9 years ago - Stars: 1 - Forks: 1

wolfgarbe/SymSpellCompound

SymSpellCompound: compound aware automatic spelling correction

Size: 646 KB - Last synced: 10 months ago - Pushed: over 6 years ago - Stars: 66 - Forks: 16

F-Haferkorn/ogis-cxxloop-examples

Syntax and implementation the new C/C++iteration related compound statement group loop()

Language: C++ - Size: 1.79 MB - Last synced: about 1 year ago - Pushed: about 2 years ago - Stars: 6 - Forks: 0

bobbylight/random-acts-of-kinase

A web application to track the kinase research done by the SGC.

Language: Java - Size: 8.27 MB - Last synced: about 2 months ago - Pushed: about 1 year ago - Stars: 3 - Forks: 0