Add support for CUDA and deprecate rcom platform in Uni-Dock v1.1

dptech-corp · Mar 1, 2024 · bccf841 · bccf841
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diff --git a/unidock/README.md b/unidock/README.md
@@ -247,6 +247,8 @@ DOI 10.1002/jcc.21334
 3. Uni-Dock computes slowly for few (<10) ligands.
 
      The optimal application of Uni-Dock occurs in scenarios where one binding pocket interacts with numerous (in an order of 1000) ligands. As the number of ligands within a single computational batch increases, the average processing speed improves. In instances where only a few ligands are present for one binding pocket, the overhead proportion becomes considerably large, leading to slower computational performance.
+4. Which GPU architectures does Uni-Dock support?
+   Before Uni-Dock v1.1, unidock supported rcom and cuda, but version 1.1 has a lot of performance optimizations for CUDA, so future updates will no longer support the rcom platform. If you need to use the rcom platform, you can use Uni-dock v1.0.
 
 ### Addendum to "FAQ 3 - Uni-Dock computes slowly for few (<10) ligands."