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deepchem

Skill1 starsChanged 5 days agoNo licenceView on GitHub

Molecular ML with diverse featurizers and pre-built datasets. Use for property prediction (ADMET, toxicity) with traditional ML or GNNs when you want extensive featurization options and MoleculeNet benchmarks. Best for quick experiments with pre-trained models, diverse molecular representations. For graph-first PyTorch workflows use torchdrug; for benchmark datasets use pytdc.

  • Installs packages

12 other projects use a version of this, 7 of them edited.

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Projects with it also use usfiscaldata, molecular-dynamics and 2 more.

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  • yf8578Skill

    usfiscaldata

    Query the U.S. Treasury Fiscal Data API for federal financial data including national debt, government spending, revenue, interest rates, exchange rates, and savings bonds. Access 54 datasets and 182 data tables with no API key required. Use when working with U.S. federal fiscal data, national debt tracking (Debt to the Penny), Daily Treasury Statements, Monthly Treasury Statements, Treasury securities auctions, interest rates on Treasury securities, foreign exchange rates, savings bonds, or any U.S. government financial statistics.

    Also in 4 projects that use this

  • LeonChaoXSkill

    molecular-dynamics

    Run and analyze molecular dynamics simulations with OpenMM and MDAnalysis. Set up protein/small molecule systems, define force fields, run energy minimization and production MD, analyze trajectories (RMSD, RMSF, contact maps, free energy surfaces). For structural biology, drug binding, and biophysics.

    Also in 4 projects that use this

  • Google DeepMindSkill

    interpro-database

    Identify domains, families, and sites in proteins; find all proteins in a family or sharing a domain; explore species distribution for a domain; annotate genomes with protein families and GO terms. InterPro combines 14 databases (e.g., Pfam, CDD) into one searchable resource. InterPro-N significantly expands annotation and sequence coverage with deep learning. Includes domain architecture (IDA) search.

    Also in 4 projects that use this

  • refly-aiSkill

    alpha-vantage

    Get financial data from Alpha Vantage. Use when you need to: (1) retrieve stock quotes and prices, (2) get forex or crypto rates, or (3) access market analytics data.

    Also in 3 projects that use this

The file

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13 rules. 9 are common, 2 are distinctive, and 2 are very specific to this project.

  • 9

    Common

    Most of the 9 edited versions we read keep these.

  • 2

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  • 2

    Very specific

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No licence file, so all rights are reserved — read it at the source. We count its rules but don't quote them. Read them on GitHub.

“Common” is measured: kept by at least 6 in 10 of the 9 edited versions of this file we could read. “Very specific” is our guess from the words: it names a file, a command, a setting or the project itself.

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