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using atom index as key for pka_dict
Create and publish a Docker image #6: Commit e91e73e pushed by popenc
May 20, 2024 16:38 5m 56s dev
dev
May 20, 2024 16:38 5m 56s
added atom index for comparison table
Create and publish a Docker image #5: Commit 2d5e9e2 pushed by popenc
April 22, 2024 18:30 7m 13s dev
dev
April 22, 2024 18:30 7m 13s
updated base image
Create and publish a Docker image #4: Commit acafcb3 pushed by popenc
April 17, 2024 14:41 8m 44s dev
dev
April 17, 2024 14:41 8m 44s
updated base image
Create and publish a Docker image #3: Commit acafcb3 pushed by popenc
April 9, 2024 18:09 6m 51s main
April 9, 2024 18:09 6m 51s
changed dc port; rounding pka values
Create and publish a Docker image #2: Commit dc270c4 pushed by popenc
March 25, 2024 15:38 8m 17s main
March 25, 2024 15:38 8m 17s
modules for molgpka flask
Create and publish a Docker image #1: Commit 51a7ea2 pushed by popenc
March 18, 2024 13:29 7m 2s main
March 18, 2024 13:29 7m 2s