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README.md
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library_name: SmallMoleculeMultiView
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license: apache-2.0
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tags:
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- chemistry
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- model_hub_mixin
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- molecules
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- pytorch_model_hub_mixin
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---
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# ibm/biomed.sm.mv-te-84m-MoleculeNet-ligand_scaffold-TOXCAST-101
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`biomed.sm.mv-te-84m` is a biomedical foundation model for small molecules created using **MMELON** (**M**ulti-view **M**olecular **E**mbedding with **L**ate Fusi**on**), a flexible approach to aggregate multiple views (sequence, image, graph) of molecules in a foundation model setting. While models based on single view representation typically performs well on some downstream tasks and not others, the multi-view model performs robustly across a wide range of property prediction tasks encompassing ligand-protein binding, molecular solubility, metabolism and toxicity. It has been applied to screen compounds against a large (> 100 targets) set of G Protein-Coupled receptors (GPCRs) to identify strong binders for 33 targets related to Alzheimer’s disease, which are validated through structure-based modeling and identification of key binding motifs [Multi-view biomedical foundation models for molecule-target and property prediction](https://arxiv.org/abs/2410.19704).
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- **Developers:** IBM Research
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- **GitHub Repository:** [https://github.com/BiomedSciAI/biomed-multi-view](https://github.com/BiomedSciAI/biomed-multi-view)
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library_name: SmallMoleculeMultiView
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license: apache-2.0
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tags:
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- binding-affinity-prediction
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- bio-medical
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- chemistry
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- drug-discovery
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- drug-target-interaction
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- model_hub_mixin
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- molecular-property-prediction
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- moleculenet
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- molecules
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- multi-view
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- multimodal
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- pytorch_model_hub_mixin
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- small-molecules
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- virtual-screening
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---
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# ibm/biomed.sm.mv-te-84m-MoleculeNet-ligand_scaffold-TOXCAST-101
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`biomed.sm.mv-te-84m` is a multimodal biomedical foundation model for small molecules created using **MMELON** (**M**ulti-view **M**olecular **E**mbedding with **L**ate Fusi**on**), a flexible approach to aggregate multiple views (sequence, image, graph) of molecules in a foundation model setting. While models based on single view representation typically performs well on some downstream tasks and not others, the multi-view model performs robustly across a wide range of property prediction tasks encompassing ligand-protein binding, molecular solubility, metabolism and toxicity. It has been applied to screen compounds against a large (> 100 targets) set of G Protein-Coupled receptors (GPCRs) to identify strong binders for 33 targets related to Alzheimer’s disease, which are validated through structure-based modeling and identification of key binding motifs [Multi-view biomedical foundation models for molecule-target and property prediction](https://arxiv.org/abs/2410.19704).
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- **Developers:** IBM Research
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- **GitHub Repository:** [https://github.com/BiomedSciAI/biomed-multi-view](https://github.com/BiomedSciAI/biomed-multi-view)
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