1965 Commits

This Branch

This Branch

All Branches

Author	SHA1	Message	Date
rdk	bc9b02d0d7	update readme	2024-11-07 14:06:52 +01:00
rdk	3eaa6c7d08	update readme	2024-11-06 14:17:16 +01:00
rdk	2b199cf898	update readme	2024-11-06 14:09:54 +01:00
rdk	cf26aa9c94	update readme 2.5	2024-11-04 08:13:08 +01:00
rdk	6bbf530ba7	change version to 2.5	2024-11-04 07:17:32 +01:00
rdk	4442b92551	update dev configs	2024-11-04 07:13:37 +01:00
rdk	1ad89edca5	chmod dev scripts	2024-11-04 06:57:17 +01:00
rdk	5cdc98978a	cleanup main dir	2024-11-04 06:33:18 +01:00
rdk	ee6839ae76	prepare readme for 2.5 release	2024-11-04 06:27:35 +01:00
rdk	263d6be715	cleanup empty dirs after fpocket	2024-11-03 18:33:19 +01:00
rdk	75315073a9	cleanup empty dirs after fpocket	2024-11-03 18:31:14 +01:00
rdk	760221b5bd	add fpocket_keep_output param	2024-11-03 18:18:57 +01:00
rdk	4dc71c2519	add fpocket_keep_output param	2024-11-03 18:17:33 +01:00
rdk	41d1b354fb	allow {version} variable in output_base_dir param fix	2024-11-03 17:53:04 +01:00
rdk	3a665d3f1c	allow {version} variable in output_base_dir param	2024-11-03 17:01:51 +01:00
rdk	77310a989b	refactor score transformer loading, add trained transformers for rescore models	2024-11-03 16:52:23 +01:00
rdk	39e2ffc1d6	allow training pocket score transformers during eval-rescore	2024-11-03 15:08:42 +01:00
rdk	d3229e3ba1	cleanup	2024-11-03 14:36:16 +01:00
rdk	88682d4efe	cleanup	2024-11-03 14:18:01 +01:00
rdk	91f4858ea4	update rescore command: generate predictions.csv, label sas points by pocket rank in visualization	2024-11-03 14:16:30 +01:00
rdk	daf798c404	update ChimeraX visualization style	2024-11-03 10:48:59 +01:00
rdk	5f926e8446	update ChimeraX visualization style	2024-11-02 18:09:25 +01:00
rdk	dc7f19026a	cleanup	2024-11-02 17:17:03 +01:00
rdk	6a5ae80124	add ChimeraX visualization	2024-11-02 16:46:50 +01:00
rdk	0c54369678	bump dependencies	2024-10-30 14:01:36 +01:00
rdk	a93eba497e	bump dependencies	2024-10-29 13:25:42 +01:00
rdk	a6ad36e9e3	bump dependencies	2024-10-25 19:50:39 +02:00
rdk	aae633f557	minor documentation updates	2024-10-19 16:19:57 +02:00
rdk	f478014f50	fix PUResNetV2.0 label	2024-10-19 16:00:01 +02:00
rdk	eb7ce63d87	bump dependencies	2024-10-05 16:45:12 +02:00
rdk	db63ba2711	update readme	2024-10-04 00:47:36 +02:00
rdk	76af9d797d	fix dev configs	2024-10-03 21:16:50 +02:00
rdk	1bee81b8c7	implement fpocket-rescore command	2024-10-03 21:15:37 +02:00
rdk	588779768e	typos	2024-10-01 01:30:50 +02:00
rdk	882a737e9a	improve output of 'prank -version' by adding system info	2024-09-29 23:33:59 +02:00
rdk	119e3b4cd3	disable test testToFlatForest	2024-09-28 18:02:53 +02:00
rdk	a0afdcbbe5	remove old models 2.5-dev.11	2024-09-28 17:41:08 +02:00
rdk	572a772510	fix print model_info	2024-09-28 01:43:55 +02:00
rdk	9544cd6aee	update default config to use new model	2024-09-28 01:32:58 +02:00
rdk	7962bd319c	set default value of rf_flatten back to false in some configs and tests	2024-09-27 22:33:00 +02:00
rdk	ba78aead92	add transformed v3 models	2024-09-27 22:15:21 +02:00
rdk	d1e07c62f2	add transform model-to-v3-format command	2024-09-27 20:35:07 +02:00
rdk	3b57926b5a	cleanup and fixing typos	2024-09-27 15:56:51 +02:00
rdk	6827b24ccc	bump dependencies	2024-09-25 21:22:36 +02:00
rdk	b88fdd7a12	small update to docs and comments	2024-09-21 13:26:32 +02:00
rdk	9caf44a3f2	CI bump setup gradle version	2024-09-21 13:19:59 +02:00
rdk	cd8894d332	CI add java 23	2024-09-21 13:08:38 +02:00
rdk	9757a15594	bump dependencies	2024-09-21 11:31:59 +02:00
rdk	62e215f100	CI: remove java 23	2024-09-09 19:51:48 +02:00
rdk	e39ffe574e	Merge branch 'p2rank-2-4' into develop	2024-09-09 19:49:52 +02:00