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Author	SHA1	Message	Date
RYDE-WORK	7c69d47238	微调阶段rdkit缓存共享	2026-02-28 15:40:29 +08:00
RYDE-WORK	f952033b09	Reuse cacje	2026-02-28 15:35:10 +08:00
RYDE-WORK	13b357ce05	增加5-fold训练的并行功能	2026-02-28 14:09:00 +08:00
RYDE-WORK	48de4d5d37	增加超参搜索范围	2026-02-28 13:57:31 +08:00
RYDE-WORK	9e4800b77e	内外部数据LNP四组分比例统一为百分比数,可电离脂质与mRNA比例的搜索范围与四组分解耦	2026-02-28 11:52:55 +08:00
RYDE-WORK	60e082af55	多任务微调时默认不加载预训练时quantified_delivery的预测头参数	2026-02-28 11:13:39 +08:00
RYDE-WORK	c52b82786d	对backbone与预测头采用分层学习率,缓解预训练任务数与任务定义都不一致的问题	2026-02-28 11:11:27 +08:00
RYDE-WORK	73921bb353	移除微调时对于预训练已固定参数的搜索,增加超参搜索时正则化搜索范围上限(加强正则化)	2026-02-27 11:39:58 +08:00
RYDE-WORK	3a45c0641c	...	2026-02-26 20:06:27 +08:00
RYDE-WORK	c6e0a974cc	移除其他无用脚本	2026-02-26 19:31:48 +08:00
RYDE-WORK	00f51f37f0	整合与baseline比对的相关脚本	2026-02-26 18:31:22 +08:00
RYDE-WORK	c7c33e3f48	...	2026-02-26 18:10:49 +08:00
RYDE-WORK	b74f3ab4b2	按照数据预处理脚本变更修正其他相应脚本	2026-02-26 18:07:39 +08:00
RYDE-WORK	72c292a91f	整理Makefile结构	2026-02-26 18:06:07 +08:00
RYDE-WORK	0e917ef0d4	引入最新数据&预先修复数据错误&将luminescence为0的分布数据统一为0	2026-02-26 18:00:25 +08:00
RYDE	5730490642	Merge pull request #1 from RYDE-WORK/amine_split ... Amine split	2026-02-11 16:55:20 +08:00
RYDE-WORK	0b90caef1d	Resolve conflicts	2026-02-11 16:51:21 +08:00
RYDE-WORK	a9392aa780	Update models and UI	2026-02-11 16:49:28 +08:00
RYDE-WORK	3f33f9d233	Add lfs	2026-02-11 16:45:21 +08:00
RYDE-WORK	c225fc67a7	Dedicated docker-compose.yml for gpu deployment	2026-01-26 11:11:52 +08:00
RYDE-WORK	3cce4c9373	Dockerize	2026-01-26 11:08:57 +08:00
RYDE-WORK	68119df128	Update app.py	2026-01-26 10:33:50 +08:00
RYDE-WORK	75e1dcb0eb	Add UI	2026-01-26 00:09:21 +08:00
RYDE-WORK	982e98cced	Add LNP fomular optimization	2026-01-25 23:54:20 +08:00
RYDE-WORK	39a14e4274	Add final models	2026-01-25 19:19:29 +08:00
RYDE-WORK	93a6f8654d	...	2026-01-23 17:51:08 +08:00
RYDE-WORK	a56637c8ac	Add loss visualization	2026-01-23 13:40:22 +08:00
RYDE-WORK	871afc5988	Add random CV split	2026-01-23 10:12:25 +08:00
RYDE-WORK	ac4246c2b7	Add train_cv(without pretrain)	2026-01-22 18:06:13 +08:00
RYDE-WORK	47bbb64c66	Add more metrics	2026-01-22 17:06:24 +08:00
RYDE-WORK	039be54c5a	...	2026-01-22 01:01:29 +08:00
RYDE-WORK	e6a5e5495a	...	2026-01-22 00:24:13 +08:00
RYDE-WORK	e123fc8f3e	update pretrain ratio	2026-01-21 23:36:53 +08:00
RYDE-WORK	c392b48994	Add CV results	2026-01-21 22:57:44 +08:00
RYDE-WORK	e1c85c83ba	CV results	2026-01-21 20:10:48 +08:00
RYDE-WORK	a2bfb26dfc	Add CV	2026-01-21 19:35:55 +08:00
RYDE-WORK	6773929ea2	增加LiON的评估指标	2026-01-21 16:20:10 +08:00
RYDE-WORK	6e4f85c5a8	添加数据集	2026-01-19 18:57:55 +08:00
RYDE-WORK	88f7b51b07	Fix makefile	2026-01-19 18:06:04 +08:00
RYDE-WORK	cbfbd1a7af	fix device conflicts	2026-01-19 11:33:57 +08:00
RYDE-WORK	0290649df1	...	2026-01-19 10:40:27 +08:00
RYDE-WORK	96a27caab2	...	2026-01-18 22:06:03 +08:00
RYDE-WORK	4c2fdc395f	Initial commit	2026-01-18 21:50:21 +08:00