Ecosyste.ms: Issues

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GitHub / deepmodeling/uni-mol issues and pull requests

#49 - ImportError

Issue - State: closed - Opened by kdpan over 2 years ago

#49 - ImportError

Issue - State: closed - Opened by kdpan over 2 years ago

#48 - code clean

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#48 - code clean

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#47 - refine demo

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#47 - refine demo

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#46 - add binding pose demo

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#46 - add binding pose demo

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#45 - add utils init

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#45 - add utils init

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#44 - How to use the pre-trained pocket model

Issue - State: closed - Opened by zyk19981118 over 2 years ago - 1 comment

#44 - How to use the pre-trained pocket model

Issue - State: closed - Opened by zyk19981118 over 2 years ago - 1 comment

#43 - refine news

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#43 - refine news

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#42 - add news about paper

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#42 - add news about paper

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#41 - add binding pose; add finetuned models

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#41 - add binding pose; add finetuned models

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#40 - paper link update; pocket property refine; code clean

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#40 - paper link update; pocket property refine; code clean

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#39 - About Loading the Pre-trained weights to finetune the down-stream tasks:

Issue - State: closed - Opened by LiquidAmmonia over 2 years ago - 7 comments

#38 - Unexpected MSE_draggabbility in pocket property predition task

Issue - State: closed - Opened by LiquidAmmonia over 2 years ago - 4 comments

#38 - Unexpected MSE_draggabbility in pocket property predition task

Issue - State: closed - Opened by LiquidAmmonia over 2 years ago - 4 comments

#37 - add some notes about reproduce

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#37 - add some notes about reproduce

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#36 - TASK_REGISTRY not updated with UniMol tasks on conformation generation

Issue - State: closed - Opened by LilDojd over 2 years ago - 2 comments

#36 - TASK_REGISTRY not updated with UniMol tasks on conformation generation

Issue - State: closed - Opened by LilDojd over 2 years ago - 2 comments

#35 - Performance Validation of the down-stream tasks

Issue - State: closed - Opened by LiquidAmmonia over 2 years ago - 4 comments

#35 - Performance Validation of the down-stream tasks

Issue - State: closed - Opened by LiquidAmmonia over 2 years ago - 4 comments

#34 - Metric in Pocket Property Prediction

Issue - State: closed - Opened by LiquidAmmonia over 2 years ago - 4 comments

#34 - Metric in Pocket Property Prediction

Issue - State: closed - Opened by LiquidAmmonia over 2 years ago - 4 comments

#33 - assert total_train_steps is not None

Issue - State: closed - Opened by LiquidAmmonia over 2 years ago - 2 comments

#33 - assert total_train_steps is not None

Issue - State: closed - Opened by LiquidAmmonia over 2 years ago - 2 comments

#32 - add missing param for conf gen infer

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#32 - add missing param for conf gen infer

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#31 - runtime error when running molecular conformation finetuning task

Issue - State: closed - Opened by WeixuanXiong over 2 years ago - 6 comments

#31 - runtime error when running molecular conformation finetuning task

Issue - State: closed - Opened by WeixuanXiong over 2 years ago - 6 comments

#30 - fix #28

Pull Request - State: closed - Opened by chrisxu2016 over 2 years ago

#30 - fix #28

Pull Request - State: closed - Opened by chrisxu2016 over 2 years ago

#29 - support none token_mask

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#29 - support none token_mask

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#27 - release pretrain ckp; fix load ckp

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#27 - release pretrain ckp; fix load ckp

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#25 - Make lmdb and numpy seed visible

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#25 - Make lmdb and numpy seed visible

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#24 - refine norm loss

Pull Request - State: closed - Opened by guolinke over 2 years ago

#24 - refine norm loss

Pull Request - State: closed - Opened by guolinke over 2 years ago

#23 - add setup.py & code formatting

Pull Request - State: closed - Opened by guolinke over 2 years ago

#23 - add setup.py & code formatting

Pull Request - State: closed - Opened by guolinke over 2 years ago

#22 - fix Conf gen init bug

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#22 - fix Conf gen init bug

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#19 - Error running molecular conformation generation task

Issue - State: closed - Opened by chrisxu2016 over 2 years ago - 3 comments

#19 - Error running molecular conformation generation task

Issue - State: closed - Opened by chrisxu2016 over 2 years ago - 3 comments

#18 - about dependencies

Issue - State: closed - Opened by lijiashan2020 over 2 years ago - 5 comments

#18 - about dependencies

Issue - State: closed - Opened by lijiashan2020 over 2 years ago - 5 comments

#17 - FloatingPointError when training on ligands for molecular pretrain

Issue - State: closed - Opened by WeixuanXiong over 2 years ago - 4 comments

#16 - Some abnormal data exists in the pocket pre-training dataset

Issue - State: closed - Opened by chrisxu2016 over 2 years ago - 3 comments

#15 - Will the authors release pre-trained model?

Issue - State: closed - Opened by kaisermoon over 2 years ago - 2 comments

#14 - Conf gen code clean

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#13 - Conf gen

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#12 - Readme update

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#11 - conf_gen code

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#10 - pocket finetune code

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#9 - code-release

Pull Request - State: closed - Opened by guolinke over 2 years ago

#8 - Docker workflow

Pull Request - State: closed - Opened by guolinke over 2 years ago

#7 - error when load the lmdb data

Issue - State: closed - Opened by yufengwhy over 2 years ago - 2 comments

#5 - Data release

Pull Request - State: closed - Opened by guolinke over 2 years ago

#4 - setup.py

Issue - State: closed - Opened by PromptKing over 2 years ago - 2 comments

#3 - data release plan

Issue - State: closed - Opened by ShoufaChen over 2 years ago - 1 comment

#2 - update Readme

Pull Request - State: closed - Opened by ZhouGengmo over 2 years ago

#1 - The implement

Issue - State: closed - Opened by CiaoHe over 2 years ago - 1 comment