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I-Shaped Developer
I-shapedSpecialist — deep expertise in Python
Collaboration Network
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Repos
7
PRs
0
Growth
+18%
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Top Repositories
Rapid Generation of Rare Event Pathways Using Direction Guided Adaptive Sampling: From Ligand Unbinding to Protein (Un)Folding
Thermal Titration Molecular Dynamics using OpenMM
OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method
Absolute solvation free energy calculations with OpenFF and OpenMM
Personal modifications around OpenBPMD code to tackle several problems
Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations
List of molecular design using Generative AI and Deep Learning
Open Source Impact
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