#

compounds

Here are 16 public repositories matching this topic...

dhimmel / drugbank

Sponsor

User-friendly extensions of the DrugBank database

rephetio drugbank drugs compounds terminology

Updated May 17, 2019
HTML

wolfgarbe / SymSpellCompound

SymSpellCompound: compound aware automatic spelling correction

spellcheck fuzzy-search edit-distance levenshtein levenshtein-distance compounds compound spelling spell-check approximate-string-matching spelling-correction damerau-levenshtein

Updated Feb 13, 2018

harirakul / chemlib

🧪 A comprehensive chemistry library for Python.

chemistry quantum-mechanics python3 compounds periodic-table stoichiometry chemical-reactions balancing-chemical-equations pypi-package chemlib

Updated Mar 28, 2022
Python

evrimagaci / periodum-api

Sponsor

Open

Update Documents

nesimtunc commented Feb 3, 2022

Current Docker environment is only development purpose. We need a production environment as well. It's no big task, we can just copy current settings and separate them individually.

Also, we might create Docker Images on Docker Hub and push automatically.

Maybe create a Wiki pages.

TODOs:

Copy Docs Template (issue, PR etc. ) from Main Project
Separate DEV / PROD env.

Read more

enhancement good first issue help wanted

Open

🧪 Create PubChem Database Importer Script

14

F-Haferkorn / ogis-modern-cxx-future-cpp

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

c cpp loop compounds language-extension compound-statements cpp-preprocessor named-loop-up named-loop-down typed-loop loop-compounds compound-group

Updated Jul 8, 2021
C++

dhimmel / drugcentral

Sponsor

Converting DrugCentral data to Rephetio identifiers

tsv data rephetio hetionet disease indications drugs compounds mappings drugcentral pharmacologic-class

Updated Mar 9, 2017
Jupyter Notebook

repodiac / german_compound_splitter

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

nlp german compounds splitter deutsch kompositum komposita

Updated Apr 6, 2021
Python

cmelab / planckton

Open

Switch assert to Error

jennyfothergill commented Sep 22, 2021

This assert
https://github.com/cmelab/planckton/blob/9c5ce3b409b9c2dc1fbb87c820750cde5b699d52/planckton/sim.py#L112-L115
does not give a useful error when used in planckton-flow. Instead it just fails with something like "Program failed during execution"

Read more

good first issue

Open

add a link to mosdef

Open

Allow for more ways to specify density

2

bobbylight / random-acts-of-kinase

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

webpack spring-boot vuejs2 compounds kinases kinase smiles-strings

Updated Mar 29, 2022
Java

diveshuttam / VSEPR-Models

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

shapes chemistry cpp models turbo compounds vsepr vbt

Updated Feb 21, 2020
C++

osofem / molecules

Get atoms from a molucular formula

atom formula chemistry molecule compounds elements

Updated Feb 8, 2022
TypeScript

bhklab / PharmacoDB-JS

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

tissue compounds experiments datasets cell-lines drug-dose-response-curves drug-targets

Updated Feb 5, 2022
JavaScript

ManuelXDuval / paracelsus

in silico medicinal chemistry.

fda medicinal compounds pubchem

Updated Sep 29, 2020
R

tjeng / high_throughput_screening

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

drugs compounds clusters kinases assays

Updated Apr 11, 2020

ElhamKarimi / Metabolic-predictions_different-Pipelines

compounds annotation-tool sbml

Updated Apr 1, 2021

dhimmel / unichem

Sponsor

A python package for mapping compounds via UniChem

mapping chemical rephetio compounds chemoinformatics unichem fikhb

Updated Jun 5, 2015
Python

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