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esol
Here are 8 public repositories matching this topic...
Machine learning model to predict aqueous solubility of organic compounds
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May 4, 2021 - Jupyter Notebook
The Ethical Security Operations License (ESOL) is a high-integrity, restrictive usage license. It is designed to be layered on top of any standard software license (e.g., MIT, Apache, GPL) to enforce ethical boundaries in cybersecurity. While the base license governs the copying and modification of the code, the ESOL v1.1 governs the legal ....
opensource license anti-fraud ethical security-operations esol anti-scam ethical-license ethical-security-operations-license ethical-security-operations ethical-operations
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Aug 11, 2026
OLMo-7B QLoRA fine-tuned on ESOL solubility regression. RDKit-Augmented Prompts + Regression Head on 4096-dim hidden states. Best RMSE: 0.8582. DeepChem GSoC 2026.
regression transformer deepchem esol solubility-prediction molecular-property-prediction qlora olmo-7b
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Mar 12, 2026 - Jupyter Notebook
Prédiction de solubilité moléculaire avec évaluation random/scaffold, incertitude conforme et SHAP.
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Sep 25, 2026 - Python
Graph Neural Network for molecular property prediction. Achieves SOTA on ESOL (RMSE 0.476) using Hybrid PNA architecture with RDKit descriptors and Test-Time Augmentation.
deep-learning cheminformatics pytorch drug-discovery graph-neural-networks pytorch-geometric gnn esol molecular-property-prediction
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Jan 24, 2026 - Python
Static site collection for Mr. Neft's math, ESOL, AI PD, and classroom HTML activities.
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Oct 15, 2026 - HTML
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