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Update README.md
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README.md

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@@ -87,10 +87,6 @@ Then, we need place the models to the `${GeminiMol}/models`.
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cd ${geminimol_data}
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wget https://zenodo.org/records/10450788/files/ChemDiv.zip # compound library for virtual screening
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wget https://zenodo.org/records/10450788/files/DTIDB.zip # DTI database for target identification
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for i in Benchmark*.zip css*.zip Chem*.zip;do
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mkdir ${i%%.zip}
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unzip -d ${i%%.zip}/ $i
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done
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unzip -d compound_library/ ChemDiv.zip
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unzip -d compound_library/ DTIDB.zip
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```
@@ -385,6 +381,10 @@ Here, we present the reproducible code for training the Cross-Encoder and Gemini
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wget https://zenodo.org/records/10450788/files/Benchmark_QSAR.zip # only for reproducing benchmark
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wget https://zenodo.org/records/10450788/files/Benchmark_TIBD.zip # only for reproducing benchmark
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wget https://zenodo.org/records/10450788/files/Chem_SmELECTRA.zip # only for reproducing cross-encoder baseline
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for i in Benchmark*.zip css*.zip Chem*.zip;do
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mkdir ${i%%.zip}
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unzip -d ${i%%.zip}/ $i
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done
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```
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#### Re-training our models

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