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.gitattributes
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@@ -57,3 +57,5 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text
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# Video files - compressed
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*.mp4 filter=lfs diff=lfs merge=lfs -text
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*.webm filter=lfs diff=lfs merge=lfs -text
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# Video files - compressed
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*.mp4 filter=lfs diff=lfs merge=lfs -text
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*.webm filter=lfs diff=lfs merge=lfs -text
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ligboundconf_2_crest_local_min.sdf filter=lfs diff=lfs merge=lfs -text
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ligboundconf_2_raw.sdf filter=lfs diff=lfs merge=lfs -text
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SMILES.csv
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ligboundconf_2_crest_local_min.sdf
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version https://git-lfs.github.com/spec/v1
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oid sha256:eed4bae8cde0e54c7da47a4ac368af3de408b1ac8a2c37aadf119dea4dc5cd10
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size 11171714
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ligboundconf_2_molecules_and_energies.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:caa6088c4752f9b96421ac166c8e6aadb541024a3cfe8f073978c31aaa5ac70e
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size 5084392
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ligboundconf_2_raw.sdf
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version https://git-lfs.github.com/spec/v1
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oid sha256:423d86ab8fa70af764974acf25765ae9746bd0f173389f3f3883948861c98057
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size 11440707
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ligboundconf_2_xtb_global_min.sdf
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strain_releif_output_mace_from_ligboundconf_xtb.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:e414b5b8dd8c8281332706dfd3ce6f22a020cbb72eef222278d1e36ca7ec3cf6
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size 5159549
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