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مشاهده بیشتر
کتابخانه
توضیح خلاصه
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This tool validates a data graph against a set of SHACL shape graphs that it extracts from a hierarchy of Profiles (Standards/Specifications and/or profiles of them).
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This is the CheKiPEUQ package which stands for Chemical Kinetics Parameter Estimation and Uncertainty Quantification. See https://github.com/AdityaSavara/CheKiPEUQ for more information.
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Python Utilities
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Library for handling chemical formulas
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A simple wrapper around docker
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Web Application for checking UK energy bills.
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A Logo to Python transpiler
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This package contains function to create monthly high-resolution climatologies for a selected geographic area for min-, max-, and mean temperature, precipitation rate and bioclimatic variables from anomalies and using CHELSA V2.1 as baseline high resolution climatology. Only works for GCMs for which tas, tasmax, tasmin, and pr are available.
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A very basic calculator
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ChelsiAI is python library to build your own AI virtual assistant with natural language processing.
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A zip based backup-restore tool
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A helper library for chemistry calculations,used by the edx-platform
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Analyzing chemistry data
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Select materials to output molecules similar to the target molecule with MCTS Solver and Genetic Programming.
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Package for Scientific calculation
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Python package generating compound co-occurance matrix for all assays from given document
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RDKit in the Bottle on Tornado
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Python package providing chembl webservices API.
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A cross-platform chemical structure rendering desktop app.
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Compatibility layer for running webservices from outside ChEMBL
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Core ChEMBL python library
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Core ChEMBL python ORM model
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Reproducibly download, open, parse, and query ChEMBL
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Python package providing extra collection of django custom management commands for use with ChEMBL and some classes for use in future
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Django custom management tool intended to perform data exports and migration of CheMBL database.
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Core ChEMBL python ORM model for data exports and migration
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ChEMBL Structure Pipeline
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Python package providing chembl web services API.
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A package to analyze chemical formulas
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Calculate chemical formula mass or atomic mass (g/mol), convert moles to grams and grams to moles, and calculate percentage mass for chemical or atom of interest
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Chemistry Calculator for Atmospheres
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ChemCharts: Chemical Space Visualizer
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Deep learning in smiles win / loss evaluation.
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ChemCloud python client. Scalable compute, easy to learn, fast to code.
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Install Conda and add ipykernel easily on Jupyter Notebook/Lab.
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Python module for dealing with chemical coordinates.
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('Basic Chemical Data, e.g. Chemical Elements, NIST Chemical Data',)
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Save your chemicals with their properties by ust drawing them in google sheet and retrive them with their smailr
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Chemdataextractor REST API wrapper
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Drawing molecules
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Various functions and data for Chemical Engineering Students
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A General-Purpose Framework for Data Mining Without Coding
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Balance chemical equations & calculates molecular weights plus periodic table of elements
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Kinetic reaction and biochemical reaction pathways for G-3.
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Tools for Simulating Chemical Evoltion
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ChemEx is an analysis program for chemical exchange detected by NMR
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An explainer for Chemprop based on LIME and PathExplain.
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Visualization toolset for small molecule drug discovery
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A python converter for Chemical Table Files.
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Read and write computational chemistry files
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Reference baseline for high-performance cheminformatics fingerprint search benchmarking
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Convert cheminformatics fingerprint files to/from the chemfp formats
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Elementray reaction and reversible reaction
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A package for the analysis of chemical genomic screen data
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Package for solving chemistry problems and also showing step by step solutions.
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Rust-style iterators for Python!
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Chemical information calculator for resolved stellar spectroscopy
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Various calculators for chemistry
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chemical_composition
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chemical_formula
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Tools for chemical elements and compounds.
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Chemical properties component of Chemical Engineering Design Library (ChEDL)
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A Deep Learning Library for Drug Pair Scoring.
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A Python package for chemical engineering
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Write any phrase as a list of chemical element symbols from the periodic table
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Tools for Chemistry Part II programming
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Python SDK for interacting with the cheminfo ELN
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Data science and machine learning tools for chemistry applications
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A CLI and SDK for ChemInventory
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Quantum Chemical Softwares Input Generater & Output Parser
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Helpers to work with the chemiscope interactive structure/property explorer for materials and molecules
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Wrapper for training flax models
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A library for using chemistry in python
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1.7.0
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A helping mini library for Chemistry
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chemistryandrobots contains dataclasses and sparql queries for concepts related to chemistry_and_robots as part of The World Avatar project.
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Python library for chemistry equations and formulas.
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Vectorized cheminformatics library leveraging EPAM Indigo Toolkit
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The best chemkin package
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Simple chemical kinetics library.
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A Chemical Kinetics Library
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The vital Chemical Kinetics packages - a life-changing module.
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The vital Chemical Kinetics packages - a life-changing module.
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A chemical kinetics library
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Simple chemical kinetics code
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Chemical kinetics code
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A chemical toolbox based on RDKit
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The python chemistry library you were waiting for
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Tools for Metabolomics Multivariate Analysis
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ChemLG is a smart and massive parallel molecular library generator for chemical and materials sciences.
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An easy-to-use library that quickly performs chemistry calculations.
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Chemical Named Entity Recognition using Deep Learning
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A Machine Learning and Informatics Program Suite for the Chemical and Materials Sciences