- Literature search
- Chemistry journals with ranking
- Chemical database
- Chemistry software
- Programming and Data Science software
- Miscellaneous
Literature search websites
- Scifinder: https://scifinder.cas.org
- Reaxys: https://www.reaxys.com
- Google scholar: https://scholar.google.com/
- PubChem: https://pubchem.ncbi.nlm.nih.gov/
- PubMed: https://pubmed.ncbi.nlm.nih.gov/
- ChemRxiv: https://chemrxiv.org/engage/chemrxiv/public-dashboard
- BASE: https://www.base-search.net/
Chemistry journals with ranking
- Research.com: https://research.com/journals-rankings/chemistry
- Scimago: https://www.scimagojr.com/journalrank.php?area=1600
- Web of Science: https://wos-journal.info
- Scopus: https://www.scopus.com/sources
Chemical database
- CAS common chemistry: https://commonchemistry.cas.org/
- ChemSpider: http://www.chemspider.com/
- MoleculeNet: https://moleculenet.org/
- Open Reaction Database: https://docs.open-reaction-database.org/en/latest/
- Kaggle: https://www.kaggle.com/search?q=chemistry
- ChEBI: https://www.ebi.ac.uk/chebi/init.do
- ChEMBL: https://www.ebi.ac.uk/chembl/
- CSD: https://www.ccdc.cam.ac.uk/solutions/csd-core/components/csd/
- COD: http://www.crystallography.net/cod/
- DrugBank: https://go.drugbank.com/
- SDBS: https://sdbs.db.aist.go.jp/sdbs/cgi-bin/cre_index.cgi?lang=eng
- Surechembl: https://www.surechembl.org/search/
- UniChem: https://www.ebi.ac.uk/unichem/
- ZINC database: https://zinc.docking.org/
- The Materials Project: https://next-gen.materialsproject.org/
- MatWeb: https://www.matweb.com/
- MatDat: https://www.matdat.com/
- SpectraBase: https://spectrabase.com/
- NP-MRD: https://np-mrd.org/
Software for chemistry research
- Molecule editor
- ChemDraw: https://perkinelmerinformatics.com/products/research/chemdraw
- ChemSketch: https://www.acdlabs.com/resources/free-chemistry-software-apps/chemsketch-freeware/
- ChemDoodle: https://www.chemdoodle.com/
- Avogadro: https://avogadro.cc/
- Marvin: https://chemaxon.com/marvin
- See also: https://en.wikipedia.org/wiki/Molecule_editor
- Visualization and drawing
- Inkscape: https://inkscape.org/
- LabArchives: https://www.labarchives.com/
- Chemmix: https://chemix.org/
- Biorender: https://biorender.com/
- Draw.io: https://draw.io
- LucidChart: https://www.lucidchart.com/
- Computational chemistry
- Gaussian: https://gaussian.com/
- Gamess: https://www.msg.chem.iastate.edu/gamess/index.html
- Mopac: http://openmopac.net/home.html
- Spartan: https://store.wavefun.com/Spartan_Software_s/12.htm
- Orca: https://orcaforum.kofo.mpg.de/app.php/portal
- ADF: https://www.scm.com/product/adf/
- Turbomole: https://www.turbomole.org/
- NWChem: https://www.nwchem-sw.org/
- ChemCompute: https://chemcompute.org/
- Charmm: https://www.charmm.org/
- GROMACS: https://www.gromacs.org/
- NAMD: https://www.ks.uiuc.edu/Research/namd/
- LAMMPS: https://www.lammps.org/
- VASP: https://www.vasp.at/
- Quantum Espresso: https://www.quantum-espresso.org/
- See also: https://en.wikipedia.org/wiki/Category:Computational_chemistry_software
- Chemical Process Simulation
- Protein visualization and modeling
- UCSF Chimera: https://www.rbvi.ucsf.edu/chimera/
- PyMOL: https://pymol.org/2/
- VMD: https://www.ks.uiuc.edu/Research/vmd/
- Discovery Studio: https://discover.3ds.com/discovery-studio-visualizer-download
- Molecular Operating Environment: https://www.chemcomp.com/Products.htm
- AutoDock: https://autodock.scripps.edu/
- AutoDock Vina: https://vina.scripps.edu/
- AutoDockTools: https://autodocksuite.scripps.edu/adt/
- PyRx: https://pyrx.sourceforge.io/
- Material Science
- Materials Studio: https://www.3ds.com/products/biovia/materials-studio
- Vesta: https://jp-minerals.org/vesta/en/download.html
- Schrodinger Suite: https://www.schrodinger.com/platform/
- Citation management
- Endnote: https://endnote.com/
- Mendeley: https://www.mendeley.com/download-reference-manager/
- Zotero: https://www.zotero.org/
- Graph
- Origin: https://www.originlab.com/
- KaleidaGraph: https://www.synergy.com/
- See also: https://en.wikipedia.org/wiki/List_of_information_graphics_software
- NMR Spectroscopy
Software for programming and data science
- Visual Studio: https://visualstudio.microsoft.com/
- Visual Studio Code: https://code.visualstudio.com/
- Matlab: https://ww2.mathworks.cn/en/products/matlab.html
- RStudio: https://posit.co/download/rstudio-desktop/
- Anaconda: https://www.anaconda.com/
- JadeML: https://github.com/phatdatnguyen/JadeML
- JadeChem: https://github.com/phatdatnguyen/JadeChem
- Python modules for cheminformatic, bioinformatics and material informatics:
- Scikit-learn: https://scikit-learn.org/
- Tensorflow: https://www.tensorflow.org/
- Pytorch: https://pytorch.org/
- Pytorch-Geometric: https://pytorch-geometric.readthedocs.io/en/latest/
- RDKit: https://www.rdkit.org/
- Deepchem: https://deepchem.io/
- Pymatgen: https://pymatgen.org/
- Biopython: https://biopython.org/
Miscellaneous
- Periodic table of elements: https://ptable.com/
- Solvents: https://organicchemistrydata.org/solvents/
- Cooling baths: https://en.wikipedia.org/wiki/List_of_cooling_baths
- NMR chemical shifts: https://www.chemistrysteps.com/nmr-chemical-shift-values-table/
- NMR impurities: https://www.sigmaaldrich.com/VN/en/technical-documents/technical-article/analytical-chemistry/nuclear-magnetic-resonance/1h-nmr-and-13c-nmr-chemical-shifts-of-impurities-chart
- IR peaks: https://www.sigmaaldrich.com/VN/en/technical-documents/technical-article/analytical-chemistry/photometry-and-reflectometry/ir-spectrum-table