rdk 4a385ccb36 use faster-molecular-surface library to calculate SAS points

2024-08-03 13:55:25 +02:00

..

calculations/score/zscore

zScoreTP

2017-12-27 15:58:22 +01:00

img

fail on config parse error

2022-06-02 11:20:25 +02:00

table-data

cleanup

2021-12-15 02:26:16 +01:00

test-scripts

use faster-molecular-surface library to calculate SAS points

2024-08-03 13:55:25 +02:00

tutorials

bump dependencies, bump gradle to 8.7

2024-04-10 03:09:19 +02:00

local-env.sh

remove obsolete JVM arguments (#44)

2020-10-18 21:48:25 +02:00