Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / deepmodeling/uni-mol issues and pull requests

#100 - question about distance matrix

Issue - State: closed - Opened by orgw almost 2 years ago - 4 comments

#100 - question about distance matrix

Issue - State: closed - Opened by orgw almost 2 years ago - 4 comments

#99 - Move notebooks

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

#99 - Move notebooks

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

#98 - fix colab

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

#98 - fix colab

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

#97 - Question about the input feature of pockets

Issue - State: open - Opened by violet-sto almost 2 years ago - 2 comments

#97 - Question about the input feature of pockets

Issue - State: open - Opened by violet-sto almost 2 years ago - 2 comments

#96 - Unimol plus

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

#96 - Unimol plus

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

#95 - modify notebook path

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

#95 - modify notebook path

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

#94 - move uni-mol to subfolders

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

#94 - move uni-mol to subfolders

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

#93 - Clintox 3d conformation data seemly have something wrong

Issue - State: closed - Opened by liuzan-info almost 2 years ago - 3 comments

#93 - Clintox 3d conformation data seemly have something wrong

Issue - State: closed - Opened by liuzan-info almost 2 years ago - 3 comments

#92 - fix colab notebooks

Pull Request - State: closed - Opened by liuzan-info almost 2 years ago

#92 - fix colab notebooks

Pull Request - State: closed - Opened by liuzan-info almost 2 years ago

#91 - fix colab notebooks

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

#91 - fix colab notebooks

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

#90 - code for creating lmdb in docking pose prediction

Issue - State: closed - Opened by orgw almost 2 years ago - 8 comments

#90 - code for creating lmdb in docking pose prediction

Issue - State: closed - Opened by orgw almost 2 years ago - 8 comments

#89 - 关于losses中dist_mean和dist_std参数的问题

Issue - State: closed - Opened by X1X1010 almost 2 years ago - 1 comment

#89 - 关于losses中dist_mean和dist_std参数的问题

Issue - State: closed - Opened by X1X1010 almost 2 years ago - 1 comment

#88 - 如何推理非casf数据集中的数据

Issue - State: open - Opened by morestart almost 2 years ago - 1 comment

#88 - 如何推理非casf数据集中的数据

Issue - State: open - Opened by morestart almost 2 years ago - 1 comment

#87 - Explaining model predictions

Issue - State: open - Opened by mdanb almost 2 years ago

#87 - Explaining model predictions

Issue - State: open - Opened by mdanb almost 2 years ago

#86 - Details about molecular docking protocols

Issue - State: open - Opened by 1874Mercury almost 2 years ago - 1 comment

#86 - Details about molecular docking protocols

Issue - State: open - Opened by 1874Mercury almost 2 years ago - 1 comment

#85 - how would you get the pocket representation?

Issue - State: closed - Opened by orgw about 2 years ago

#85 - how would you get the pocket representation?

Issue - State: closed - Opened by orgw about 2 years ago

#84 - Loading pretrained model in Jupyter notebook

Issue - State: open - Opened by mpriessner about 2 years ago - 2 comments

#84 - Loading pretrained model in Jupyter notebook

Issue - State: open - Opened by mpriessner about 2 years ago - 2 comments

#83 - what is the dataset formulation

Issue - State: closed - Opened by WeianMao about 2 years ago - 2 comments

#83 - what is the dataset formulation

Issue - State: closed - Opened by WeianMao about 2 years ago - 2 comments

#82 - lmdb file of moleculenet

Issue - State: closed - Opened by aaronma2020 about 2 years ago - 1 comment

#82 - lmdb file of moleculenet

Issue - State: closed - Opened by aaronma2020 about 2 years ago - 1 comment

#81 - error during molecule conformation generation

Issue - State: closed - Opened by orgw about 2 years ago - 1 comment

#80 - mol_property_demo

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

#80 - mol_property_demo

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

#78 - Multi-Task Molecular Properties Prediction

Issue - State: closed - Opened by gaoyuchen820 about 2 years ago - 2 comments

#78 - Multi-Task Molecular Properties Prediction

Issue - State: closed - Opened by gaoyuchen820 about 2 years ago - 2 comments

#77 - Prediction results acquisition

Issue - State: closed - Opened by gaoyuchen820 about 2 years ago - 1 comment

#77 - Prediction results acquisition

Issue - State: closed - Opened by gaoyuchen820 about 2 years ago - 1 comment

#76 - Inference script for molecular property prediction

Issue - State: closed - Opened by gihanpanapitiya about 2 years ago - 2 comments

#76 - Inference script for molecular property prediction

Issue - State: closed - Opened by gihanpanapitiya about 2 years ago - 2 comments

#74 - A question about the Molecular dataset in page 15 of the Uni-Mol paper.

Issue - State: closed - Opened by Krystal9917 about 2 years ago - 2 comments

#74 - A question about the Molecular dataset in page 15 of the Uni-Mol paper.

Issue - State: closed - Opened by Krystal9917 about 2 years ago - 2 comments

#73 - Using Uni-Mol with mac

Issue - State: closed - Opened by NadavQuris about 2 years ago - 1 comment

#73 - Using Uni-Mol with mac

Issue - State: closed - Opened by NadavQuris about 2 years ago - 1 comment

#72 - The number of pretraining steps

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

#72 - The number of pretraining steps

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

#69 - How the model and task work together?

Issue - State: closed - Opened by Krystal9917 over 2 years ago - 4 comments

#69 - How the model and task work together?

Issue - State: closed - Opened by Krystal9917 over 2 years ago - 4 comments

#68 - Exception using `notebooks/unimol_mol_repr_demo.ipynb`

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

#67 - Difference of embedding layer dimension between pretrained model and dict.txt

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

#67 - Difference of embedding layer dimension between pretrained model and dict.txt

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

#66 - fix mode

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

#66 - fix mode

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

#65 - run unimol_mol_repr_demo.ipynb got error "KeyError: 'unimol'"

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

#65 - run unimol_mol_repr_demo.ipynb got error "KeyError: 'unimol'"

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

#64 - add note in mol repr demo for #62

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

#64 - add note in mol repr demo for #62

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

#63 - 传入参数出现下面的报错，请问是什么原因

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

#63 - 传入参数出现下面的报错，请问是什么原因

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

#61 - use github release to host model parameters

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

#61 - use github release to host model parameters

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

#60 - add mol repr demo

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

#60 - add mol repr demo

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

#59 - The docking results reproduction

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

#59 - The docking results reproduction

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

#58 - Vocabulary used for molecule pre-training

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

#58 - Vocabulary used for molecule pre-training

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

#57 - Hyperparameters for protein-ligand binding pose prediction without pretraining

Issue - State: closed - Opened by 1874Mercury over 2 years ago - 5 comments

#57 - Hyperparameters for protein-ligand binding pose prediction without pretraining

Issue - State: closed - Opened by 1874Mercury over 2 years ago - 5 comments

#56 - 麻烦能提供下生成化学分子和蛋白的向量表示的简单示例吗

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

#56 - 麻烦能提供下生成化学分子和蛋白的向量表示的简单示例吗

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

#55 - add AIAC-2022 baseline

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

#55 - add AIAC-2022 baseline

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

#54 - Generating atom and pair representations

Issue - State: closed - Opened by raghavchandra123 over 2 years ago - 1 comment

#54 - Generating atom and pair representations

Issue - State: closed - Opened by raghavchandra123 over 2 years ago - 1 comment

#53 - fix index typo

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

#53 - fix index typo

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

#52 - Running inference outside of pre-computed datasets

Issue - State: open - Opened by cyrusmaher over 2 years ago - 4 comments

#52 - Running inference outside of pre-computed datasets

Issue - State: open - Opened by cyrusmaher over 2 years ago - 4 comments

#51 - Zhgao/demo update

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

#51 - Zhgao/demo update

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

#50 - demo update

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

#50 - demo update

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