Science & optimisation
Drug discovery with quantum computing
Screen and rank candidate molecules using quantum-accelerated chemistry workloads.
- Quantum
- VM
- Workflows
- Store
- Graph
The scenario
A pharma research team wants to narrow thousands of candidate compounds to a short list. Agents prepare the molecular simulations, run the demanding quantum steps on Ahura Quantum, and rank what comes back.
How it works
- 1Agents prepare candidate structures and encode the chemistry problems, such as binding energy estimates, for Ahura Quantum.
- 2Quantum jobs run in the background on simulators while classical pre- and post-processing runs in sandboxes, and every result is stored against its candidate.
- 3A workflow ranks the results, pauses for a chemist to approve the short list, and freezes the whole project when the round ends.
An illustrative scenario, not a customer story.
Interactive simulation
Simulate this case study
Watch the partition come up, each step run, and usage build as it goes. Simulated: volumes, timings and prices are illustrative.
Partition
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Status
not created
Elapsed
00:00
- Provisioning
- Processing
- Freezing
- Complete
01Agents prepare candidate structures and encode the chemistry problems, such as binding energy estimates, for Ahura Quantum.
queued- Ahura Quantumqc.devicesqueued
status: queued · 0 / 4,000 shots run
- Ahura VMutilities.run_pythonqueued
status: queued · 0 / 24 sandbox runs
02Quantum jobs run in the background on simulators while classical pre- and post-processing runs in sandboxes, and every result is stored against its candidate.
queued- Ahura Workflowsworkflow.definequeued
status: queued · 0 / 36 steps completed
- Ahura Storestore.listqueued
status: queued · 0 / 48 objects stored
03A workflow ranks the results, pauses for a chemist to approve the short list, and freezes the whole project when the round ends.
queued- Ahura Graphgraph.neighborsqueued
status: queued · 0 / 380 edges recorded
Services in this partition
Quantum
0 calls · 0.00 ACU
VM
0 calls · 0.00 ACU
Workflows
0 calls · 0.00 ACU
Store
0 calls · 0.00 ACU
Graph
0 calls · 0.00 ACU
Spend by service
Event log
- Waiting to start.
Why Ahura OS
Why this is better on Ahura OS
Drug discovery spends most of its time and money moving between systems: chemistry tools, clusters, specialist hardware queues, and a trail of results across lab drives. Ahura OS puts the quantum steps, the classical compute, the results and the review in one partition. Candidates are screened in parallel, quantum jobs run on simulators billed per run, and results arrive as events that rank a short list for a chemist to approve. Proprietary structures never leave an isolated, encrypted partition with a defined retention. When a round ends the project freezes for years at archive cost and can be restored exactly, or destroyed on schedule.
What each capability replaces
- Ahura QuantumInstead of provider accounts, toolchains and queues, a circuit or problem is a tool call with results stored for you.
- Ahura VMInstead of fleets of machines to patch, every run gets its own disposable sandbox, billed only while it executes.
- Ahura WorkflowsInstead of writing retry, timeout and approval plumbing, you declare the steps and the platform guarantees the behaviour and the history.
- Ahura StoreInstead of managing buckets, permissions and lifecycle rules, objects follow the partition: they freeze, thaw and expire with it.
- Ahura GraphInstead of standing up and operating a graph database, relationships live beside your other state at the same price and isolation.
And on every use case
One endpoint, not a stack
Memory, storage, compute, inference, identity and messaging share one connection, one identity and one bill. The integration work you would normally own disappears.
Isolation by construction
Every agent’s world is a partition. Separation is how the platform is built, not a convention teams must remember to follow.
Cost follows use
Pay per call and per millisecond. Idle agents freeze to archive pricing. There is no capacity to reserve and nothing running unseen.
Retention and deletion built in
Lifetimes, expiry, freezing and destruction are platform features, so your data policy is enforced rather than aspirational.
Safe autonomy
Spending limits, protected signing keys, approval steps and signed actions let agents work unattended without being unaccountable.
Ready for audit
Designed against SOC 2 and ISO 27001 controls, with every call metered, recorded and attributable.
Compared
The old way of doing things
A computational chemistry team with its own clusters, long queues for specialist hardware and results scattered across lab drives.
Data retention is built in
Everything this scenario stores lives in one isolated partition with a lifetime you set. Expired data deletes itself, a paused project freezes to low-cost archive, and a finished one can be destroyed completely. Security and compliance