chemical
There are 101 repositories under chemical topic.
lambdacasserole/avogadrio
Worship your favorite molecule by setting it as your wallpaper.
weisscharlesj/SciCompforChemists
Scientific Computing for Chemists text for teaching basic computing skills to chemistry students using Python, Jupyter notebooks, and the SciPy stack. This text makes use of a variety of packages including NumPy, SciPy, matplotlib, pandas, seaborn, NMRglue, SymPy, scikit-image, and scikit-learn.
suhdonghwi/3d-periodic-table
3D Periodic Table Viewer
ncbi/icn3d
web-based protein structure viewer and analysis tool interactively or in batch mode
mcocdawc/chemcoord
A python module for manipulating cartesian and internal coordinates.
BioSTEAMDevelopmentGroup/thermosteam
BioSTEAM's Premier Thermodynamic Engine
stevecalderone/Chemical-Engineering-Thermodynamics
User Defined Functions for multi-component thermodynamic calculations of the Predictive Peng-Robinson 1978 Equation of State. Clean VBA functions - no UI changes and no pop up messages. Errors are reported in cell comments. Import Math.bas, ModArraySupport.bas and ChemE_Functions.bas into PData.xlsx and save as xlsm or simply download PData.xlsm.
coudertlab/CrystalNets.jl
A julia package for the manipulation of crystal net representations and topology
Metaboverse/Metaboverse
Visualization and analysis platform for metabolic data and network pattern recognition
pyvandenbussche/transformers-ner
Experiment on NER task using Huggingface state-of-the-art Transformers Natural Language Models library
dylanwal/chemistry_drawer
Draw molecules with plotly!
XCH-CEB/xch-project
A high-performance chemical equation parser and balancer
kongnet/chem
Chemical Equation Balancing
biothings/mychem.info
MyChem.info: A BioThings API for chemical/drug annotations
ipqa-research/ugropy
A Python library designed to swiftly and effortlessly obtain the UNIFAC groups from molecules by their names and subsequently integrate them into inputs for thermodynamic libraries.
akshay7837/ChemCal
Chemical engineering calculations as Jupyter notebook
profhsgill/pychemengg
PyChemEngg is a python-based framework to promote problem solving and critical thinking in chemical engineering.
UnixJunkie/consent
ligand-based virtual screening with consensus queries
jpk-opensource/CSG
Chemical Structure Generator
weisscharlesj/ProgrammingInChem
Jupyter notebooks and data for incorporating programming into chemistry courses
zilliz-bootcamp/chemical_similarity_search
Converting chemical formulae to fingerprints and then compared for similarity in Milvus.
abhishekvraman/Propylean
Python library to analyze chemical and related process plants.
Qinetik/chemical
Chemical Programming Language
suchayarj/WhatsOnYourFace
EDA on Chemicals in Cosmetic dataset and hypothesis test to identify which cosmetic company potentially used more harmful chemicals compared to other
a-r-j/DrugTranslatoR
R package for translating between drug identifiers using the Chemical Translation Service (CTS)
kimariyb/kimariDraw
A Python script that processes Multiwfn spectral data and plots various spectra.
mattatlincoln/mattatlincoln.github.io
Collection of my talks and teaching at the University of Lincoln, UK.
sommaa/CKM
A series of functions to use Chemkin-like files on matlab.
Yuchen971/Contaminant_model_brisbane_airport
Brisbane airpot Contaminant model (Flopy)
zukahai/balance-chemical-equations-chorm-extension
Balance chemical equations is a user-friendly extension designed to effortlessly balance chemical equations, ensuring accurate representation of chemical reactions.
heskethrp/CRE
Chemical Reaction Engineering Course This is a 4 credit hour course at Rowan University
PaulsGitHubs/Electrophysiology-Chemical-Drug-Signal-Identification
Electrophysiology Chemical Drug Signal Identification, Fentanyl data...
Xzaohui/chemical_ner
北京大数据技能大赛
zaid-24/Chemical-Material
Compilation of material for chemical engineering IIT KGP