ZINC is a free database of commercially-available compounds for virtual screening. ZINC contains over 230 million purchasable compounds in ready-to-dock, 3D formats. ZINC also contains over 750 million purchasable compounds that can be searched for analogs.
Source: ZINC15Benchmarks
| Trend | Task | Dataset Variant | Best Model | Paper | Code |
|---|---|---|---|---|---|
|
ZINC-500k
|
CSA
|
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|
ZINC
|
TIGT
|
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|
ZINC
|
𝛽-CVAE
|
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|
ZINC 100k
|
CIN-small
|
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|
ZINC
|
2-WL-GNN + CmpNN
|
Papers
| Paper | Code | Results | Date | Stars |
|---|
