Job Description

Company Description

Moleculyst Ventures Private Limited is a deep-tech biotechnology startup focused on precision and personalized healthcare through computational biology and machine-learning–driven molecular simulations. The company develops advanced simulation pipelines that integrate neural network potentials with high-performance molecular dynamics engines to enable next-generation biomedical and materials research.

Role Description

(Contract | Remote | HPC-focused)

We are seeking a C++ Developer with strong HPC and scientific software experience to work on deploying and adapting OpenMM-Torch–based molecular dynamics workflows on institutional HPC systems.

The role primarily involves understanding existing OpenMM-Torch / LibTorch codebases, adapting build configurations, resolving dependency and ABI issues, and ensuring stable execution on HPC environments (CPU and GPU clusters)...

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