Molhaven Open demo

Self-hosted chemical inventory

From structure
to shelf. One system.

Search molecular structures, manage physical samples, validate SDF imports, and keep every inventory change traceable—without giving up control of your data.

Book a walkthrough Explore the demo
Structure-aware Inventory-ready Auditable Self-hosted
demo.molhaven.com / editor Live product
Molhaven molecular editor with exact, substructure, and similarity search modes
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Structure search Exact · Substructure · Similarity
Your infrastructure Your users, database, and policies
01Draw & search
02Register compounds
03Locate samples
04Trace every change

One connected workspace

Chemical identity and physical inventory stay together.

Molhaven replaces the gap between structure files, spreadsheets, and shelf labels with a searchable system built around how a laboratory actually works.

Compound metadata Analytical data Room → rack → box → cell Role-based administration

Core workflows

Built around the work,
not around a spreadsheet.

These are current product screens from the live demo—not design mockups.

01 / Search

Find compounds by structure or metadata.

Draw a molecule, run exact, substructure, or similarity search, then move through the catalogue with filters and infinite loading.

  • Integrated molecular editor
  • Name, registration number, and SMILES search
  • Stock visibility directly on compound cards
  • Filtered SDF export
molhaven / all structures
Molhaven compound catalogue with structure cards and search controls
02 / Inventory

Navigate storage without losing context.

Move from rooms to racks, boxes, and individual cells in one explorer. Occupancy, quantities, and sample details remain one click away.

  • Room, rack, box, and cell hierarchy
  • Descriptions and fast location search
  • Occupied and empty cell filters
  • Box-level SDF export and restore
molhaven / storage explorer
Molhaven storage explorer showing rooms, racks, boxes, and cells
03 / Data migration

Import SDF files with a review step.

Uploading a file does not immediately write to the database. Map properties, validate every row, review conflicts, and only then confirm the import.

  • Separate compound and inventory-field mapping
  • Reusable mapping profiles
  • Warnings and row-level error reports
  • Replace, add, or reject quantity conflicts
molhaven / controlled SDF import
Molhaven SDF import workspace

Operational control

More than a compound catalogue.

Molhaven includes the controls needed to run a shared inventory reliably after the initial data import.

A

Traceability

Audit every important change.

See who created, updated, or deleted compounds, inventory items, storage locations, users, tags, and settings—with exact before and after values.

Molhaven audit log with user, action, entity, and changed fields
↻

Recovery

Schedule box-level SDF backups.

Store private snapshots in S3, keep a configurable retention window, create backups on demand, and preview a restore before applying it.

Molhaven SDF import settings
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Data enrichment

Bring metadata in without guessing.

Look up PubChem data or search CAS Common Chemistry by InChI. When CAS returns several matches, the user chooses the correct compound before anything is applied.

PubChemCASInChI
U

Access control

Keep public discovery separate from inventory.

Anonymous visitors can browse compound structures and stock status, while locations, quantities, analytical data, administration, and exports remain protected.

PublicStaffSuperuser

Your data, your rules

Deploy Molhaven around your infrastructure.

Run the application services with Docker, connect the database and AWS resources your organisation controls, and place access behind your own domain, TLS, firewall, and identity policies.

Discuss deployment
HTTPS Web interface & API Your domain and access rules
Core Django + RDKit Chemistry and inventory logic
Workers Celery + SQS Imports, images, audit, backups
Data PostgreSQL + RDKit Structures and inventory
Objects Private S3 buckets Imports, images, backups

Let’s talk

See how Molhaven fits your laboratory.

Tell us about your collection, storage model, and current data. We can discuss deployment, SDF migration, and arrange a focused product walkthrough.

support@molhaven.com