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Update README.md
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Wang-Lin-boop committed Oct 13, 2024
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8 changes: 4 additions & 4 deletions README.md
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Expand Up @@ -87,10 +87,6 @@ Then, we need place the models to the `${GeminiMol}/models`.
cd ${geminimol_data}
wget https://zenodo.org/records/10450788/files/ChemDiv.zip # compound library for virtual screening
wget https://zenodo.org/records/10450788/files/DTIDB.zip # DTI database for target identification
for i in Benchmark*.zip css*.zip Chem*.zip;do
mkdir ${i%%.zip}
unzip -d ${i%%.zip}/ $i
done
unzip -d compound_library/ ChemDiv.zip
unzip -d compound_library/ DTIDB.zip
```
Expand Down Expand Up @@ -385,6 +381,10 @@ Here, we present the reproducible code for training the Cross-Encoder and Gemini
wget https://zenodo.org/records/10450788/files/Benchmark_QSAR.zip # only for reproducing benchmark
wget https://zenodo.org/records/10450788/files/Benchmark_TIBD.zip # only for reproducing benchmark
wget https://zenodo.org/records/10450788/files/Chem_SmELECTRA.zip # only for reproducing cross-encoder baseline
for i in Benchmark*.zip css*.zip Chem*.zip;do
mkdir ${i%%.zip}
unzip -d ${i%%.zip}/ $i
done
```

#### Re-training our models
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