Computational Chemist: Methods Development

Inductive Bio is building an AI compound optimization platform that leverages state-of-the-art AI models trained on our rapidly-expanding proprietary ADMET datasets. Our platform is being used by biopharma partners to optimize dozens of active small molecule programs, and adoption is rapidly growing. Backed by top investors, Inductive Bio is quickly becoming the partner of choice for innovative biopharma companies.

We are seeking a methods-focused Computational Chemist to build and deploy physics-based methodologies that integrate into our existing AI-based algorithms. You will leverage open-source and commercial tools to build in-house capabilities for docking, molecular dynamics, free-energy perturbation, and quantum mechanics. You will lead our expansion into physics-based computational chemistry approaches and deploy them at scale, with immediate impact across the dozens of programs we are already supporting.

What you’ll do:

• Develop and implement computational chemistry methods, including docking, molecular dynamics, quantum chemistry calculations, and free energy perturbation

• Integrate physics-based models with existing AI-driven predictive frameworks to solve complex molecular optimization challenges

• Work with the machine learning team to deploy physics-based methods for pretraining AI models

• Collaborate closely with our engineering, design, and medicinal chemistry team to translate methodological advances into practical drug discovery tools

• Stay informed about emerging computational approaches and ensure Inductive remains at the forefront of innovative computational chemistry methodologies

• Communicate and present scientific progress internally and externally, supporting strategic collaborations and business development activities

• Contribute meaningfully to Inductive's product and scientific strategy

Who you are:

• You have a Ph.D. in Computational Chemistry, Biophysics, Physics, or a related discipline

• You have 4+ years of experience developing computational chemistry methods, ideally within biotech, pharma, or closely related industries

• You have deep expertise in molecular dynamics, free energy calculations, and/or quantum chemistry

• You're proficient in computational chemistry software packages such as AMBER, GROMACS, OpenMM, Gaussian.

• You're a strong programmer

• Bonus points for experience integrating physics-based methods with machine learning approaches (e.g., generative models, deep learning-based structure predictions)

• You're excited by interdisciplinary collaboration and eager to pioneer novel computational approaches at the intersection of physics and AI

• You possess outstanding communication skills and thrive in dynamic, rapidly evolving environments

Working at Inductive

At Inductive Bio, we know that the people on the team are what make us great. We offer competitive salary and equity-based compensation; comprehensive healthcare benefits (including dental and vision); and the opportunity to grow along with a rapidly scaling company. We are a passionate, kind, and mature team. Working at a fast growing startup is not always a 9-5 job, but we believe that our employees should have full lives beyond their career.