الفنيون الكيميائيون

علوم الحياة والطبيعة والاجتماع · المهارات والكفاءات الوظيفية · SOC 19-4031 · 43 مهارة

سياق المهنة

تصف مهام O*NET هذه المهنة وتوضح سياق تصنيف SOC، لكنها لا تعني أن كل مهارة مدرجة تنفذ كل مهمة.

Conduct chemical or physical laboratory tests to assist scientists in making qualitative or quantitative analyses of solids, liquids, or gaseous materials.
Maintain, clean, or sterilize laboratory instruments or equipment.
Monitor product quality to ensure compliance with standards and specifications.

تُعرض بيانات مهام O*NET بلغتها المصدرية (الإنجليزية). بيانات المهام مقتبسة من O*NET® 29.1 Database التابعة لـ USDOL/ETA، وتُستخدم بموجب CC BY 4.0.

مصادر تمثيلية

عينة محدودة من المهارات الشائعة المرتبطة بهذه المهنة، بمهارة واحدة على الأكثر من كل مستودع GitHub. وتليها القائمة الكاملة للمهارات المرتبطة.

molecule-visualization

synthetic-sciences/openscience

Publication-quality molecular visualization. 2D structure drawings (PNG/SVG), molecule grids with property annotations, scaffold highlighting, protein-ligand interaction diagrams, and interactive 3D views.

waste-disposal-guide

aipoch/medical-research-skills

Guide for disposing specific chemical wastes into the correct colored waste containers, with safety precautions and regulatory compliance notes.

Hello-QM/catgo-LRG

Convert molecular file formats using Open Babel. Handles SMILES, mol2, sdf, pdb, xyz, cif, and 100+ other formats. Also performs 3D coordinate generation and hydrogen addition.

كل المهارات المرتبطة

تصفح دليل الارتباط الكامل حسب شعبية المستودع أو أحدث نشاط في المصدر.

تبقى أسماء المهارات وأوصافها باللغة التي يوفرها مستودع المصدر.

ترتيب حسب

molecule-visualization

synthetic-sciences/openscience

Publication-quality molecular visualization. 2D structure drawings (PNG/SVG), molecule grids with property annotations, scaffold highlighting, protein-ligand interaction diagrams, and interactive 3D views.

synthetic-sciences/openscience

Cheminformatics toolkit for fine-grained molecular control. SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D generation, similarity, reactions. For standard workflows with simpler interface, use datamol (wrapper around RDKit). Use rdkit for advanced control, custom sanitization, specialized algorithms.

smiles-validation

synthetic-sciences/openscience

Strict SMILES validation, structural comparison, and modification verification. Catches invalid LLM-generated molecules.

waste-disposal-guide

aipoch/medical-research-skills

Guide for disposing specific chemical wastes into the correct colored waste containers, with safety precautions and regulatory compliance notes.

Hello-QM/catgo-LRG

Convert molecular file formats using Open Babel. Handles SMILES, mol2, sdf, pdb, xyz, cif, and 100+ other formats. Also performs 3D coordinate generation and hydrogen addition.

Hello-QM/catgo-LRG

ORCA frequency calculation. Computes vibrational frequencies, IR intensities, zero-point energy, and thermochemistry at specified temperature/pressure.

Hello-QM/catgo-LRG

ORCA NEB-TS transition state search. Requires reactant and product structures. Handles NEB parameters, image count, and CI-NEB settings.

Hello-QM/catgo-LRG

ORCA geometry optimization. Handles method/basis selection, dispersion corrections, solvent models, and convergence settings.

Hello-QM/catgo-LRG

Generate ORCA input files for TD-DFT UV-Vis calculations and parse/plot the resulting absorption spectrum. Use when the user asks about UV-Vis spectra, absorption spectra, TD-DFT calculations, excited state calculations in ORCA, or wants to plot results from an ORCA TD-DFT output file. Also trigger when the user mentions oscillator strengths, electronic transitions, or simulated UV-Vis.

Hello-QM/catgo-LRG

Generate initial configurations for molecular simulations using Packmol. Build liquid boxes, mixtures, solutions, and solvated systems by packing molecules into a defined region.

Hello-QM/catgo-LRG

Run phonon calculations using Phonopy. Computes phonon band structures, density of states, thermal properties, and checks dynamical stability. Works with VASP, QE, ABINIT, and other DFT codes as the force calculator.

quantum-espresso

Hello-QM/catgo-LRG

Generate and manage Quantum ESPRESSO (pw.x) DFT calculations. Use when the user requests QE, Quantum ESPRESSO, pw.x, or plane-wave pseudopotential calculations outside VASP.