scikit-fallback
A scikit-learn-compatible, lightweight Python package for machine learning with rejections.
Posts by Collection
portfolio
YAMLChem Python Package
YAMLChem is a Python package built on top of MXNet and RDKit for applying machine learning methods in computational chemistry.
publications
An upper bound for the chromatic number of graphs with given thickness and girth
Published in Intelligent systems. Theory and applications, 2018
An upper bound for the chromatic number of graphs depending on thickness and girth.
Recommended citation: S. Sh. Adilov, “An upper bound for the chromatic number of graphs with given thickness and girth”, Intelligent systems. Theory and applications, 22:3 (2018), 99–104 http://mi.mathnet.ru/eng/ista/v22/i3/p99
Neural Language Modeling for Molecule Generation
Published in ChemRxiv, 2021
A comprehensive outline of SMILES-based autoregressive language models.
Recommended citation: Adilov, Sanjar (2021): Neural Language Modeling for Molecule Generation. ChemRxiv. Preprint. doi:10.26434/chemrxiv.14700831.v1 https://doi.org/10.26434/chemrxiv.14700831.v1
Generative Pre-Training from Molecules
Published in ChemRxiv, 2021
Pre-training a multi-task GPT-2 transformer for drug design. Transfer learning with adapter modules for molecular-property prediction and focused molecule generation.
Recommended citation: Adilov, Sanjar (2021): Generative Pre-Training from Molecules. ChemRxiv. Preprint. doi:10.33774/chemrxiv-2021-5fwjd http://doi.org/10.33774/chemrxiv-2021-5fwjd
Molecular-Property Prediction with Sparsity
Published in ChemRxiv, 2022
Penalized linear models enforcing sparsity on grouped molecular representations.
Recommended citation: Adilov, Sanjar (2022): Molecular-Property Prediction with Sparsity. ChemRxiv. Preprint. doi:10.26434/chemrxiv-2022-g7mfn http://doi.org/10.26434/chemrxiv-2022-g7mfn
talks
Talk 1 on Relevant Topic in Your Field
Published:
This is a description of your talk, which is a markdown files that can be all markdown-ified like any other post. Yay markdown!
Conference Proceeding talk 3 on Relevant Topic in Your Field
Published:
This is a description of your conference proceedings talk, note the different field in type. You can put anything in this field.
teaching
Teaching experience 1
Undergraduate course, University 1, Department, 2014
This is a description of a teaching experience. You can use markdown like any other post.
Teaching experience 2
Workshop, University 1, Department, 2015
This is a description of a teaching experience. You can use markdown like any other post.