{"id":1562322,"url":"https://alion.io/job/topos-bio-computational-chemist","title":"Computational Chemist","company":{"id":2309199,"name":"Topos Bio","domain":"toposbio.ai","url":"https://alion.io/company/toposbio","size_band":"11-50","is_staffing_agency":false,"employer_type":"direct","is_intermediary":false,"listed_via":null,"ats_vendor":"Ashby","truth_index":null},"role":"Science & Research","role_family":"Science & Research","seniority":null,"employment_type":"full_time","work_mode":"on_site","remote_scope":null,"remote_scope_basis":null,"remote_working_hours":null,"hiring_geo_confidence":"structured","locations":["San Francisco, United States"],"countries":["US"],"hiring_countries":[],"hiring_countries_total":0,"salary":null,"salary_estimate":{"min_usd":90000,"max_usd":251000,"period":"year","method":"role_country_seniority_unknown","sample_n":2038},"experience_years_min":null,"visa_sponsorship":false,"relocation_package":false,"has_equity":false,"technologies":[{"name":"HPC","optional":false},{"name":"Machine Learning","optional":false},{"name":"Python","optional":false}],"status":"live","first_seen_at":"2026-09-30T03:18:06Z","employer_posted_date":"2026-09-30","last_verified_at":"2026-10-02T20:36:43Z","board_verified":true,"closed_at":null,"days_open":3,"trust":{"level":"ok","repost_count":null,"flags":[],"days_open":3},"description":"Topos Bio\nAt Topos Bio, we're pioneering drug discovery for intrinsically disordered proteins-targets that have eluded conventional approaches in neurodegeneration, oncology, and cardiometabolic disease.\nWe’re seeking a Computational Chemist to help generate novel molecules for a variety of targets and collaborate closely with AI researchers and experimental scientists.\nWhat you will do\nDevelop scalable workflows to generate and screen thousands of potential drug candidates\n\nDesign and run molecular dynamics simulations, applying enhanced sampling methods to characterize protein-ligand binding and conformational dynamics\n\nEngineer and optimize data pipelines that handle large-scale molecular simulations and structure-based predictions\n\nBuild and optimize cheminformatics pipelines for compound filtering, property prediction, fingerprint-based similarity search, and chemical space analysis\n\nCollaborate with AI researchers to incorporate simulation data into model training and inference pipelines\n\nBridge scientific rigor with practical results, ensuring computational protocols are both accurate and efficient\n\nCommunicate technical nuances to cross-functional teams, fostering a shared understanding of capabilities and limitations\n\nStay up to date with the latest research and breakthroughs in computational chemistry, generative models, and molecular simulation\n\nLead external scientific presentations to pharmaceutical partners; Communicate the team's computational approaches for both technical audiences and business partners\n\nWhat we are looking for\nPhD in Computational Biophysics, Computational Chemistry, or a related field\n\nExperience with molecular modeling, simulation, and generative drug design\n\nProficiency with common computational biophysics software (e.g. AMBER, GROMACS, OpenMM, PLUMED, Schrödinger, OpenEye)\n\nStrong background in cheminformatics: molecular fingerprints, QSAR/QSPR, property prediction, scaffold analysis, cheminformatics libraries (e.g., RDKit, OpenBabel)\n\nExpert coding in at least one language (Python preferred)\n\nFamiliarity with HPC cluster or cloud computing environments, containerization, and workflow orchestration\n\nStrong communication skills, with the ability to present complex ideas in clear terms\n\nPreferred\nExperience integrating machine learning techniques for molecular generation\n\nBackground in quantum chemistry methods (DFT, ab initio) and its application to biomolecular systems\n\nExposure to early-stage drug discovery programs, from target identification to lead optimization","description_format":"text","description_chars":2547,"description_truncated":false,"requirements":{"experience_years_min":null,"management_years_min":null,"team_size_min":null,"manages_managers":false,"education":{"level":"phd","optional":false},"security_clearance":false,"languages":[]},"benefits":[],"hiring_locations":[],"hiring_excludes":[],"relocation_offered":false,"industries":["Artificial Intelligence","Drug Discovery","Medical AI"],"lifecycle":[{"event":"open","at":"2026-10-01T04:29:08Z"}],"liveness":{"score":86,"band":"hot","label":"Hiring now","p_open":1,"p_active":0.86,"p_room":1,"age_days":2,"expected_fill_days":93,"reasons":["conf:11","win:early"],"computed_at":"2026-10-02T05:45:00Z"},"pay":null,"html_url":"https://alion.io/job/topos-bio-computational-chemist","json_url":"https://alion.io/job/topos-bio-computational-chemist.json","meta":{"generated_at":"2026-10-03T03:32:36Z","cache_seconds":300,"methodology":"https://alion.io/methodology","terms":"https://alion.io/terms","contact":"https://alion.io/contact","api":"https://alion.io/developers","usage":{"tier":"crawler","counted_by":"address","units_charged":1,"used_today":3401,"day_limit":5000,"remaining_today":1599,"minute_limit":60,"resets_at":"2026-10-04T00:00:00Z"}}}