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Issues list

How to train unimol2 from scratch? Is there any tutorial? documentation Improvements or additions to documentation
#338 opened Apr 15, 2025 by kingwzun
A beginner's inquiry and learning.
#337 opened Apr 14, 2025 by yangshixin2330601026
1
运行unimol的finetune功能预测分子性质MAE有误 bug Something isn't working
#335 opened Apr 10, 2025 by Wwwwsycom
使用unimol_tools进行微调训练时能否保存conformers结果
#334 opened Apr 10, 2025 by zyzyyy123
6
[BUG] OOM issue occurs running unimol2 Models with unimol-tools bug Something isn't working
#332 opened Apr 7, 2025 by jerryyao120-ndd
7
关于Uni-Mol对分子性质微调 wontfix This will not be worked on
#330 opened Apr 2, 2025 by Wwwwsycom
[BUG] _Replace With Suitable Title_ bug Something isn't working
#327 opened Mar 19, 2025 by sdafafdsds
docking documentation Improvements or additions to documentation
#325 opened Mar 7, 2025 by zzxmeditation
[Feature Request] Batch inference/representations enhancement New feature or request
#324 opened Mar 6, 2025 by joseacitores
2
Uni-Mol: Problem reproducing molecular property prediction results
#323 opened Mar 4, 2025 by rasmusthrane
3
Uni-Mol: Problem reproducing molecular property prediction results wontfix This will not be worked on
#322 opened Mar 4, 2025 by rasmusthrane
如何使用 Uni-Mol 对化合物库进行聚类？
#317 opened Jan 27, 2025 by JonasLi-19
1
[BUG] _Replace With Suitable Title_ bug Something isn't working
#316 opened Jan 23, 2025 by wangyifei1992
1
使用Unimol Plus在训练阶段的验证集上报错RuntimeError: mat1 and mat2 must have the same dtype, but got Float and Half
#315 opened Jan 22, 2025 by Carpdong
How do I turn off the model's output INFO
#314 opened Jan 22, 2025 by Luoacee
1
Train loss cannot converge correctly in Unimol2 finetune scence. bug Something isn't working
#312 opened Jan 20, 2025 by wangyifei1992
1
使用Grad-CAM神经网络可视化技术，对微调的Unimol模型预测HOMO能级进行可视化分析，请问这一想法是否合理
#308 opened Dec 30, 2024 by jianing1997
1
无法生成3D构象
#305 opened Dec 19, 2024 by sunyrain
2
问题请教
#300 opened Dec 14, 2024 by buyudaren3
2
微信二维码过期了
#296 opened Dec 5, 2024 by Karson-York
2
classification
#293 opened Nov 27, 2024 by alanianeselli
1
Use pre-split data in UniMol Tools
#292 opened Nov 25, 2024 by am2145
2
跑通
#289 opened Nov 18, 2024 by Self-333
10
How to implement a simple inference?
#287 opened Nov 1, 2024 by 18930215187
3
How to reimplement with other molecular feature
#286 opened Oct 29, 2024 by legendzzy
3
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