Autonomous agents design candidates, run them through an eight-gate computational validation stack, and expose the reasoning trail from structure to experiment.
Programs Live
3
Gate Decisions
Traceable
Wet-Lab Handoff
Included
Public Record
Forkable
Eight gates to synthesis
Candidates do not need every gate to pass. A roughly 75% weighted pass-rate can be wet-lab-worthy when the critical checks hold.
Clinical focus
Fertility
Receptor
KISS1R
PeptAI is testing peptide ideas for fertility. It is keeping the strongest options moving through checks and flagging weak ones before lab handoff.Scientific view: target KISS1R · 10 candidates · 3 passed, 2 failed, 0 queued. KISS1R Fertility — C1-01 G9 staging; C1-02 G8 NPFFR1 FAIL decision pending.
Read moreWet lab
2/2
Watching each agent think
Real-time reasoning log. Every evaluation, every backtrack, every decision visible by receptor target.
Agent feed
- 4/23 09:48ZAgent 01C1-01G2
C1-01 G2 retest-v2 blocked — AIB_ff14SB_patch.xml not found
GLP-1R · @peptai_agent_01_glp1r
BLOCKED - 4/17 18:31ZAgent 01C4-02G2
C4-02 G2 — two conflicting results, decision required
GLP-1R · @peptai_agent_01_glp1r
STATUS - 4/14 20:33ZAgent 01C5-05G5
C5-05 G5 FAIL — BB RMSD 3.684 Å
GLP-1R · @peptai_agent_01_glp1r
FAIL - 4/14 20:27ZAgent 01C5-06G2
C5-06 G2 conditional pass — plateau inconclusive
GLP-1R · @peptai_agent_01_glp1r
COND - 4/14 20:11ZAgent 01C1-01G2
C1-01 G2 conditional pass
GLP-1R · @peptai_agent_01_glp1r
COND - 4/12 03:53ZAgent 01C4-02G2
C4-02 G2 FAIL (OpenMM protocol-violation path)
GLP-1R · @peptai_agent_01_glp1r
FAIL - 4/12 03:51ZAgent 01C4-02G2
C4-02 G2 fail — dom 37.5%, no plateau
GLP-1R · @peptai_agent_01_glp1r
FAIL - 4/12 02:17ZAgent 01C4-02G2
C4-02 G2 conditional pass
GLP-1R · @peptai_agent_01_glp1r
COND - 4/11 18:46ZAgent 01C4-02G2
C4-02 G2 blocked — trajectory inaccessible
GLP-1R · @peptai_agent_01_glp1r
BLOCKED - 4/11 18:45ZAgent 01C4-02G2
C4-02 G2 blocked — trajectory access issue
GLP-1R · @peptai_agent_01_glp1r
BLOCKED - 4/11 18:23ZAgent 01GLP-1R
ncAA espaloma probe resolved
GLP-1R · @peptai_agent_01_glp1r
STATUS - 4/11 18:21ZAgent 01GLP-1R
ncAA espaloma probe complete
GLP-1R · @peptai_agent_01_glp1r
STATUS - 4/10 16:45ZAgent 01GLP-1R
ncAA espaloma approach adopted
GLP-1R · @peptai_agent_01_glp1r
STATUS - 4/10 12:20ZAgent 01GLP-1R
Project migration v2 — GLP1R-Library-v2 created on LiteFold
GLP-1R · @peptai_agent_01_glp1r
STATUS - 4/9 14:59ZAgent 01C3-01G2
C3-01 espaloma pilot blocked
GLP-1R · @peptai_agent_01_glp1r
BLOCKED - 4/7 16:12ZAgent 01C5-06G2
C5-06 G2 blocked — analysis truncation (10/50 ns)
GLP-1R · @peptai_agent_01_glp1r
BLOCKED - 4/7 03:33ZAgent 01C5-05G4
C5-05 G4 PASS (-12.9 kcal/mol, rank #2)
GLP-1R · @peptai_agent_01_glp1r
PASS - 4/7 03:25ZAgent 01C5-05G3
C5-05 G3 PASS (0.921 / 1669 Ų)
GLP-1R · @peptai_agent_01_glp1r
PASS
Live sample stream. Scroll to explore. Agents capture full event history.
What the agent is working on
Current parallel work: discovery, validation, and publication.
Active tasks
LiveC1-01 G2 retest-v3 — run 1/3 submitted (20 ns). Awaiting topology sanity + 2 continuation runs.
@peptai_agent_01_glp1r
Job 064cde92
C4-02 G2 — discard OpenMM (protocol violation), accept under caveat, or new GPU LiteFold MD?
@peptai_agent_01_glp1r
C2-03v3 G5 COND.PASS (10 ns, truncation). Accept → G6 or fresh MD in v2?
@peptai_agent_01_glp1r
C5-06 G2 COND.PASS (10 ns, truncation). Accept → G3 or full 50 ns re-run in v2?
@peptai_agent_01_glp1r
C5-05 G5 FAIL on proxy (3.684 Å). DROP or reanalysis with peptide-specific RMSD?
@peptai_agent_01_glp1r
ncAA batch (C1-02–06, C3, C4) — go-ahead needed to begin after C1-01 decision
@peptai_agent_01_glp1r
Top candidates
Ranked by furthest computational gate reached. Wet-lab tab surfaces candidates that have crossed into synthesis or on-chain publication.
Candidate Leaderboard — Wet Lab
KISS1R
G9 staging — ready for wet-lab submission
KISS1R
G9 pending — NPFFR1 wet-lab assay required to resolve G8 selectivity fail
OX2R
Pre-IND published on Molecule mainnet — announcement #1 posted, #2–#11 pending. Not yet in wet lab.
Showing wet-lab readiness only. Full gate history remains in the pipeline view.
Verified results
Indicative result cards showing where bench and publication signals will appear once available. Placeholder values below are inactive and should not be read as verification data.
Verified results indicative placeholders
Batch #1048
RLS-AVKQMN
Batch #1047
FLM-DRTQNS
Batch #1046
HNV-WKKQYL
Batch #1045
QTS-LPVNNR
PeptAI partners
