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README.md
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https://cdn-uploads.huggingface.co/production/uploads/672fec35d68675461e02d9ab/NqT2SG2Ox5Z1bpGKNjXBP.png
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---
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## WARNING: Some models are currently missing checkpoints due to storage limits
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# MIST: Molecular Insight SMILES Transformers
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MIST is a family of molecular foundation models for molecular property prediction.
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| mist-1.8B-m50jgolp-bace | MIST-1.8B| MoleculeNet BACE |
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| mist-1.8B-uop1z0dc-tox21 | MIST-1.8B| MoleculeNet Tox21 |
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| mist-1.8B-lu1l5ieh-clintox | MIST-1.8B| MoleculeNet ClinTox |
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| mist-1.8B-l1wfo7oa-sider
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| mist-1.8B-hxiygjsm-esol
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| mist-1.8B-iwqj2cld-freesolv | MIST-1.8B| MoleculeNet FreeSolv |
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| mist-1.8B-jvt4azpz-lipo | MIST-1.8B| MoleculeNet Lipophilicity |
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| mist-1.8B-8nd1ot5j-qm8 | MIST-1.8B| MoleculeNet QM8 |
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| mist-28M-97vfcykk-clintox | MIST-28M | MoleculeNet ClinTox |
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| mist-28M-z8qo16uy-sider | MIST-28M | MoleculeNet SIDER |
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| mist-28M-kcwb9le5-esol | MIST-28M | MoleculeNet ESOL |
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| mist-28M-0uiq7o7m-freesolv
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| mist-28M-xzr5ulva-lipo | MIST-28M | MoleculeNet Lipophilicity |
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| mist-28M-gzwqzpcr-qm8 | MIST-28M | MoleculeNet QM8 |
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| mist-28M-kkgx0omx-qm9 | MIST-28M | MoleculeNet QM9 |
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#### QM9 Benchmark Models
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The single target (MIST-1.8B encoder) models for properties in QM9 are available.
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| Folder | Encoder | Target |
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| ---------------------------- | :------: | ----------------------------------------------------------------- |
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| mist-1.8B-ez05expv-mu | MIST-1.8B| μ - Dipole moment (unit: D) |
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| mist-1.8B-rcwary93-alpha
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| mist-1.8B-jmjosq12-homo
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| mist-1.8B-n14wshc9-lumo
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| mist-1.8B-kayun6v3-gap
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| mist-1.8B-xxe7t35e-r2
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| mist-1.8B-6nmcwyrp-zpve | MIST-1.8B| ZPVE - Zero point vibrational energy (unit: Hartree) |
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| mist-1.8B-a7akimjj-u0 | MIST-1.8B| U0 - Internal energy at 0K (unit: Hartree) |
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| mist-1.8B-85f24xkj-u298 | MIST-1.8B| U298 - Internal energy at 298.15K (unit: Hartree) |
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| mist-1.8B-09sntn03-g298 | MIST-1.8B| G298 - Free energy at 298.15K (unit: Hartree) |
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| mist-1.8B-j356b3nf-cv | MIST-1.8B| Cv - Heat capacity at 298.15K (unit: cal/(mol*K)) |
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### Finetuned Single Task Models
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thumbnail: >-
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https://cdn-uploads.huggingface.co/production/uploads/672fec35d68675461e02d9ab/NqT2SG2Ox5Z1bpGKNjXBP.png
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---
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# MIST: Molecular Insight SMILES Transformers
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MIST is a family of molecular foundation models for molecular property prediction.
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| 88 |
| mist-1.8B-m50jgolp-bace | MIST-1.8B| MoleculeNet BACE |
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| mist-1.8B-uop1z0dc-tox21 | MIST-1.8B| MoleculeNet Tox21 |
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| mist-1.8B-lu1l5ieh-clintox | MIST-1.8B| MoleculeNet ClinTox |
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| mist-1.8B-l1wfo7oa-sider * | MIST-1.8B| MoleculeNet SIDER. |
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| mist-1.8B-hxiygjsm-esol * | MIST-1.8B| MoleculeNet ESOL |
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| mist-1.8B-iwqj2cld-freesolv | MIST-1.8B| MoleculeNet FreeSolv |
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| mist-1.8B-jvt4azpz-lipo | MIST-1.8B| MoleculeNet Lipophilicity |
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| mist-1.8B-8nd1ot5j-qm8 | MIST-1.8B| MoleculeNet QM8 |
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| mist-28M-97vfcykk-clintox | MIST-28M | MoleculeNet ClinTox |
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| mist-28M-z8qo16uy-sider | MIST-28M | MoleculeNet SIDER |
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| mist-28M-kcwb9le5-esol | MIST-28M | MoleculeNet ESOL |
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| mist-28M-0uiq7o7m-freesolv * | MIST-28M | MoleculeNet FreeSolv |
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| mist-28M-xzr5ulva-lipo | MIST-28M | MoleculeNet Lipophilicity |
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| mist-28M-gzwqzpcr-qm8 | MIST-28M | MoleculeNet QM8 |
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| mist-28M-kkgx0omx-qm9 | MIST-28M | MoleculeNet QM9 |
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`*` Indicates models currently not available on hugging-face due to storage limits
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#### QM9 Benchmark Models
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The single target (MIST-1.8B encoder) models for properties in QM9 are available.
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| Folder | Encoder | Target |
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| ---------------------------- | :------: | ----------------------------------------------------------------- |
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| mist-1.8B-ez05expv-mu | MIST-1.8B| μ - Dipole moment (unit: D) |
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| mist-1.8B-rcwary93-alpha * | MIST-1.8B| α - Isotropic polarizability (unit: Bohr^3) |
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| mist-1.8B-jmjosq12-homo * | MIST-1.8B| HOMO - Highest occupied molecular orbital energy (unit: Hartree) |
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| mist-1.8B-n14wshc9-lumo * | MIST-1.8B| LUMO - Lowest unoccupied molecular orbital energy (unit: Hartree) |
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| mist-1.8B-kayun6v3-gap * | MIST-1.8B| Gap - Gap between HOMO and LUMO (unit: Hartree) |
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| mist-1.8B-xxe7t35e-r2 * | MIST-1.8B| \<R2\> - Electronic spatial extent (unit: Bohr^2) |
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| mist-1.8B-6nmcwyrp-zpve | MIST-1.8B| ZPVE - Zero point vibrational energy (unit: Hartree) |
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| mist-1.8B-a7akimjj-u0 | MIST-1.8B| U0 - Internal energy at 0K (unit: Hartree) |
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| mist-1.8B-85f24xkj-u298 | MIST-1.8B| U298 - Internal energy at 298.15K (unit: Hartree) |
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| mist-1.8B-09sntn03-g298 | MIST-1.8B| G298 - Free energy at 298.15K (unit: Hartree) |
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| mist-1.8B-j356b3nf-cv | MIST-1.8B| Cv - Heat capacity at 298.15K (unit: cal/(mol*K)) |
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`*` Indicates models currently not available on hugging-face due to storage limits
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### Finetuned Single Task Models
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