Computational Biologist (Cheminformatics) | Remote

Crossing Hurdles; India; Remote; INR 10,679,000 - 14,684,000; Part time

Job summary

Crossing Hurdles is seeking a Computational Biology & Cheminformatics Expert for a remote contract role. You will analyze drug discovery datasets, curate data, and support AI-driven platforms with reproducible pipelines.

Candidates should have an advanced degree in a relevant field, strong Python skills, and experience with RDKit/KNIME/Schrödinger, plus virtual screening workflows and public bioactivity databases. 10-40 hrs/week.

Qualifications

• Advanced expertise in Computational Biology/ Cheminformatics.
• Strong coding in Python and pipelines; familiarity with Git, GitHub, and Docker.
• Extensive experience with cheminformatics toolkits (RDKit, KNIME, Schrödinger).
• Proven track record in small-molecule drug discovery and virtual screening workflows.
• Comfort working with public chemical and bioactivity databases.

Responsibilities

• Analyze and interpret small-molecule and drug discovery datasets using computational biology, bioinformatics, and cheminformatics methods.
• Curate, annotate, and validate chemical and biological datasets to support AI-driven discovery platforms.
• Evaluate compound-target interactions and lead optimization strategies by integrating diverse data sources.
• Provide expert insights on structure-activity relationships and medicinal chemistry approaches.
• Build and implement code-based benchmark tasks reflecting realistic computational drug discovery scenarios.
• Develop reproducible environments and automated testing pipelines to ensure task correctness.

Skills

Python

Git

GitHub

Docker

Virtual screening

Small-molecule drug discovery

Education

Advanced degree in Computational Biology or related field

Tools

RDKit

KNIME

Schrödinger

Job description

Position: Computational Biology & Cheminformatics Expert
Type: Contract
Compensation: $80 - $110/hour
Location: Remote
Commitment: 10-40 hrs/week

Role Responsibilities

• Analyze and interpret small-molecule and drug discovery datasets using computational biology, bioinformatics, and cheminformatics methods.
• Curate, annotate, and validate chemical and biological datasets to support AI-driven discovery platforms.
• Evaluate compound-target interactions and lead optimization strategies by integrating diverse data sources.
• Provide expert insights on structure-activity relationships and medicinal chemistry approaches.
• Build and implement code-based benchmark tasks reflecting realistic computational drug discovery scenarios.
• Develop reproducible environments and automated testing pipelines to ensure task correctness.

Requirements

• Advanced expertise in Computational Biology, Cheminformatics, or related fields; advanced degree highly valued.
• Strong coding proficiency in Python with experience building tools and pipelines; familiarity with Git, GitHub, and Docker.
• Extensive experience with cheminformatics toolkits such as RDKit, KNIME, or Schr dinger.
• Proven track record in small-molecule drug discovery and virtual screening workflows.
• Comfort working with public chemical and bioactivity databases for scientific analysis.