Merge pull request #225 from misterbrandonwalker/diffdock_sanitize remove ligands with kekulization error in diffdock workflow - PolusAI/mm-workflows - master #811
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Node.js 16 actions are deprecated. Please update the following actions to use Node.js 20: actions/checkout@v3, conda-incubator/setup-miniconda@v2.2.0, tibdex/github-app-token@b62528385c34dbc9f38e5f4225ac829252d1ea92, ./workflow-inference-compiler/.github/my_actions/reply_sender/. For more information see: https://github.blog/changelog/2023-09-22-github-actions-transitioning-from-node-16-to-node-20/.
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Setup mamba (linux, macos)
Mamba support is still experimental and can result in differently solved environments!
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