Repository Issue Activity (beta)

#71 Community Deployment: SMI-TED on NVIDIA via FlagOS

#33 Question: Does SMI-TED support isomeric SMILES (stereochemistry information)?

#64 Comparison with GROVER

#56 the Elec density model

#29 Question about dataset and its split

#36 pre-train time GPU

#37 fm4m mordred Calculator

#59 Does SMI-TED model support SMILES with stereochemical information?

#57 I would like to fine-tune the smi_ted_large model. Could you please provide the download link for the pretrained smi_ted_large checkpoint?

#54 Add Equivariant LoRA support to PoseGNN model

#52 transformers-4.38.1-py3-none-any.whl: 14 vulnerabilities (highest severity is: 8.8)

#51 torch-2.5.1-cp39-none-macosx_11_0_arm64.whl: 12 vulnerabilities (highest severity is: 9.8)

#50 torch-2.6.0-cp39-cp39-manylinux1_x86_64.whl: 11 vulnerabilities (highest severity is: 5.3)

#49 torch-2.2.2-cp39-cp39-manylinux1_x86_64.whl: 12 vulnerabilities (highest severity is: 9.8)

#48 urllib3-1.26.20-py2.py3-none-any.whl: 1 vulnerabilities (highest severity is: 5.3)

#47 tqdm-4.66.1-py3-none-any.whl: 1 vulnerabilities (highest severity is: 4.8)

#46 aim-3.28.0-cp38-cp38-macosx_11_0_arm64.whl: 9 vulnerabilities (highest severity is: 9.1)

#34 Installation instructions not accurate

#39 predict the activity of compounds

#38 Installation as Python project?

#32 No such file or directory: '../inference/smi_ssed/smi-ssed_130.pt'

#21 MoE code?

#20 Issues with SMILES Encoding and Decoding in Common Cases Using the SMI-TED Model

#19 There is no fast_transformers folder in \materials\models\smi_ted\inference\smi_ted_light.

#14 Error in smi-ted load.py after commit 7ae8e79