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Issues list

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
1
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
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
DEMO code for extracting features using UNIMOL2
#284 opened Oct 28, 2024 by pansanity666
2
UniMol2 to fine-tune and inference in the regression(property predict)
#282 opened Oct 22, 2024 by chengfengke
1
UniMol Docking v2 on PoseBusters quality checks
#281 opened Oct 22, 2024 by liyue9129
交叉熵损失
#278 opened Oct 13, 2024 by lmqfly
poses in sdf missing end of file and protonation
#276 opened Oct 2, 2024 by CLG68
UNI-Dock2 question
#274 opened Sep 19, 2024 by abiotik
1
口袋模型预训练时用到的是哪种pocket pdb？
#270 opened Sep 15, 2024 by ai4protein
1
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