Reverse Dependencies of pubchempy

The following projects have a declared dependency on pubchempy:

• AqOrg — Estimate thermodynamic properties of aqueous organic compounds
• BIOecmpy — Automated construction of enzyme constraint models using ECMpy workflow
• chemoecology-tools — Chemoecology Tools
• Chrfinder — The package find the best chromatography based on properties of the mixture
• chromaquant — Analytical platform for gas chromatography
• cpiextract — CPIExtract is a software package to collect and harmonize small molecule and protein interactions.
• django-mbrowse — Browse and View Metabolomic datasets
• ecmpy — Automated construction of enzyme constraint models using ECMpy workflow
• ECMpy2.0 — Automated construction of enzyme constraint models using ECMpy workflow.
• GalletaPy — Paquete con código para ERIs
• gcms-data-analysis — Automatic analysis of GC-MS data
• glycosylator — A Python framework for the rapid modeling of glycans
• gptchem — Use GPT-3 to solve chemistry problems
• hplc-data-analysis — Tool for automatic analysis of multiple HPLC results
• matchms — Python library for large-scale comparisons and processing of tandem mass spectral data
• matchmsextras — Additional functionalities to be used with matchms
• materia — Module for integrated materials simulations.
• materia-structure — Streamlined interface for managing atomistic structure data.
• mdgo — A codebase for MD simulation setup and results analysis.
• MDSuite — A postprocessing tool for molecular dynamics simulations.
• mispr — mispr contains FireWorks workflows for Materials Science
• moffragmentor — Splits MOFs into metal nodes and linkers.
• msp2db — Python package for converting msp to database
• ndx-odor-metadata — NWB Extension for documenting odor stimulus metadata
• nmross — Gives an approximate 1H NMR when given a smiles or a IUPAC name of a molecule with maximum one aromatic ring and no double bonds.
• nomodeco — a python package for the determination of optimal internal coordinate systems for molecular structures
• olorenchemengine — Oloren ChemEngine is a library for molecular property prediction, uncertainty quantification and interpretability. It includes 50+ models and molecular representations under a unified API, which achieves state-of-the-art performances on a variety of molecular property prediction tasks. The diversity of models and representations is achieved by integrating all top-performing methods in the literature as well an in-house methods.
• openfermion — The electronic structure package for quantum computers.
• palmiche — A python package for automation of MD simulations
• pdom — Simulation toolkit for the Photocatalytic Degradation of Organic Molecules
• pertpy — Perturbation Analysis in the scverse ecosystem.
• pollychem — no summary
• polymerist — A unified set of tools for setting up general organic polymer systems for MD within the OpenFF framework
• project-ppchem-tools-kit — Basic Chemistry Toolkit
• proteinTools — Lightweight, object-oriented backend bioinformatics package which simplifies interacting with proteins.
• pyBiodatafuse — A python package for integrating data from multiple resources
• pyrfume — A validation library for human olfactory psychophysics research.
• pytoda — pytoda: PaccMann PyTorch Dataset Classes.
• pyzik — functions packages for my physic's students
• robocrys — Automatic generation of crystal structure descriptions
• spectral-denoising — Spectral denoising and denoising search
• ssbtoolkit — Simulation of methematical models of signaling pathways of GPCRs
• stoichiometric-balancer — Python package for balancing and visualising reactions
• ugropy — Get UNIFAC functional groups of PubChem compounds or SMILES representation.