Libraries tagged by Chem

Periodic table utility class

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Omnilab: one contract for the public science-data APIs - entities (a compound, a gene, a protein, a species, a star, an earthquake) with their properties, units and cross-references, series (a variable measured at a place over time: weather, climate, air) and catalogued products (a satellite scene, a dataset, STAC-like) - whatever the domain; a Collector that follows cross-references from one base to the next, and a Symfony bundle.

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Omnilab Rhea: a biochemical reaction by any of its four Rhea ids (18157, 18160) or its KEGG reaction (R00200) - its equation, status, balance, transport, sides and their participants, citations - its quartet and KEGG reaction as identifiers, its ChEBI participants, EC numbers, GO term, Reactome events and the reviewed UniProt proteins that catalyse it as related things; a search; through Rhea's SPARQL endpoint and REST search, no key.

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Omnilab PubChem: a compound by CID, name, InChIKey, InChI, CAS number or SMILES - its computed properties with units (formula, weight, XLogP, TPSA...), synonyms, description, 2D structure image and its identifiers in ChEBI, ChEMBL, Wikidata, CAS, UNII, DSSTox and KEGG - through PubChem's PUG-REST, no key needed, at PubChem's pace.

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Omnilab OQMD: the Open Quantum Materials Database - an entry by its OQMD id (formula, space group, prototype, volume, formation energy, hull distance, band gap, ICSD id) and the entries of a composition or a phase space, through its RESTful API, no key. Not tested live.

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Omnilab Open Targets: a target by its Ensembl gene, a disease or phenotype by its EFO, Mondo, HPO or Orphanet id, a drug by its ChEMBL id - names, descriptions, locations, classes, therapeutic areas, parents, mechanisms of action, indications - their associations with scores, drugs and clinical candidates, UniProt, HGNC, OMIM and Orphanet ids, InterPro domains and Reactome pathways, a search, and the associations paged, through the Open Targets Platform's GraphQL API, no key needed.

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Omnilab Materials Project: computed properties of inorganic materials by Materials Project id (mp-149) - formula, symmetry, density, energies per atom, stability, band gap, magnetism, elastic moduli - and the materials of a formula or a chemical system, through api.materialsproject.org (an account's key required). Not tested live.

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Omnilab KEGG: a compound (C07481), a drug (D00528), a reaction (R00200), a pathway map (map00010, hsa00010) or an enzyme (2.7.1.40) by its KEGG identifier - names, formula and masses, a reaction's equation, a pathway's class and description, an enzyme's class and systematic name - the same thing in CAS, ChEBI, ChEMBL and Rhea as identifiers, its reactions, pathways, enzymes, compounds and GO terms as related things; a compound by its ChEBI id; a search; through KEGG's REST API (rest.kegg.jp), for academic use by academic users only.

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Omnilab COD: a crystal structure of the Crystallography Open Database by its COD id (9008565) - its names, formula, unit cell with uncertainties, space group, Z, temperature, radiation, R factors, publication and DOI - the entry it duplicates as a related thing, its CIF as a file; a search of the entries' metadata; no key.

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Omnilab ChEBI: a chemical entity of biological interest by ChEBI id, InChIKey, CAS number, KEGG id or name - its definition, formula, masses, charge, SMILES, InChI, structure depiction, its ontology (what it is a kind of, its roles, functional parents, conjugates) and its identifiers in CAS, KEGG and the other bases - and a search, through the REST API of ChEBI 2.0 (EMBL-EBI), no key needed.

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Omnilab Cactus: the NCI/CADD Chemical Identifier Resolver - a structure from a name, a CAS number, an InChIKey, an InChI or a SMILES, and its standard InChIKey, InChI, SMILES, IUPAC name, formula, molecular weight, CAS numbers, names and picture; OPSIN for a name it cannot read; no key.

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A Laravel Livewire component for 3D molecular visualization using 3DMol.js

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Simple molecular weight calculator. Allows you to calculate masses of chemical particles based on stoichiometric formulas.

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Simple image manipulation library for PHP

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XiXi helper functions contain Chemical etc.

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