Irfan Alibay

10PUBLICATIONS
91CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsComputational chemistryEmpirical software engineeringBioinformatic methods developmentFormal methods for software
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Publications (10)

|May 21, 2026
Large-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFE.

|Apr 21, 2026
Developing and Benchmarking Sage 2.3.0 with the AshGC Neural Network Charge Model.

|Mar 10, 2026
The Open Molecular Software Foundation (OMSF) and the Growing Role of Open Source Software in Molecular Modeling.

Karmen Čondić-Jurkić, Irfan Alibay, Woody Sherman

|Feb 26, 2026
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data.

Hugo MacDermott-Opeskin, Jenke Scheen, Cas Wognum

|Aug 18, 2025
alchemlyb: the simple alchemistry library.

Zhiyi Wu, David L Dotson, Irfan Alibay

|Nov 06, 2024
Konnektor: A Framework for Using Graph Theory to Plan Networks for Free Energy Calculations.

Benjamin Ries, Richard J Gowers, Hannah M Baumann

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Frequent Collaborators

4 joint publications

David Mobley

3 joint publications

John D Chodera

3 joint publications

Benjamin Ries

3 joint publications

James R B Eastwood