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Pull requests: microsoft/qdk-chemistry

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Pull requests list

Docs: switch default example tab from C++ to Python
#546 opened Jun 24, 2026 by eimrek Member Loading…
1
Docs: replace xyz files with xyz strings
#545 opened Jun 23, 2026 by eimrek Member Loading… Release 2.0.0
11
Add Serialization Migration Utilities for v2
#544 opened Jun 22, 2026 by wavefunction91 Collaborator Loading… Release 2.0.0
4
MPS sequential state prep algorithm
#540 opened Jun 19, 2026 by YingrongChen Member • Draft
SOSSA hamiltonian builder and circuit mapper
#539 opened Jun 19, 2026 by YingrongChen Member • Draft
Skip qre notebook test on Python < 3.11
#538 opened Jun 18, 2026 by YingrongChen Member Loading… Release 2.0.0
12
Trace dockerized C++ build so CodeQL cpp snapshot uploads
#533 opened Jun 15, 2026 by wavefunction91 Collaborator • Draft
4
Add MCP, CLI and remote execution support
#527 opened Jun 12, 2026 by nabbelbabbel Collaborator • Draft
Zassenhaus time evolution HamiltonianUnitaryBuilder UnitaryHack Bountied Issues for UnitaryHACK
#526 opened Jun 12, 2026 by nirajvenkat Contributor Loading…
3 tasks done
Release 2.0.0
1
31
Add accuracy-aware (epsilon) support to PartiallyRandomized builder
#525 opened Jun 9, 2026 by feisuxiaozhu Contributor • Draft
@feisuxiaozhu
12
Add geometry optimization and geomeTRIC plugin enhancement New feature or request
#522 opened Jun 8, 2026 by nabbelbabbel Collaborator • Draft Release 2.0.0
1
@nabbelbabbel
1
Add stabilized SCF enhancement New feature or request ready-to-review A PR that is ready to be reviewed
#520 opened Jun 8, 2026 by nabbelbabbel Collaborator Loading… Release 2.0.0
1
@nabbelbabbel
21
Bump Cholesky serialization version bug Something isn't working
#510 opened Jun 5, 2026 by v-agamshayit Contributor • Draft
@v-agamshayit
3
Add nuclear derivative calculators enhancement New feature or request ready-to-review A PR that is ready to be reviewed
#500 opened Jun 1, 2026 by nabbelbabbel Collaborator Loading… Release 2.0.0
@nabbelbabbel
34
Small dev container refactor CI/CD CI/CD Pipelines & dev tools
#489 opened May 22, 2026 by eimrek Member Loading…
1
35
Add spin-free 1e-x2c Hamiltonian
#480 opened May 15, 2026 by v-agamshayit Contributor • Draft
2
Add higher-order spin Hamiltonians for lattice models
#479 opened May 13, 2026 by wavefunction91 Collaborator • Draft
1
Add Base Container for Determinant based Wavefunctions
#470 opened May 6, 2026 by mmoerchen Contributor • Draft
20
Add block encoding algorithm
#468 opened May 5, 2026 by YingrongChen Member Loading… Release 2.0.0
107
Add QRE as an Algorithm enhancement New feature or request ready-to-review A PR that is ready to be reviewed refactor/cleaning Smaller change to clean up or clarify code.
#465 opened May 4, 2026 by nabbelbabbel Collaborator Loading…
@nabbelbabbel
8
Optimize ASCI workflow
#464 opened May 1, 2026 by v-boqinzhang Contributor Loading… Release 2.0.0
122
Add native cube generator backed by GauXC OrbitalEvaluator
#461 opened Apr 28, 2026 by ConradJohnston Contributor • Draft
1
Computing <S^2> for wavefunction containers
#457 opened Apr 24, 2026 by v-agamshayit Contributor Loading… Release 2.0.0
1
@wavefunction91
30
Add natural orbital localizer enhancement New feature or request
#456 opened Apr 24, 2026 by mmoerchen Contributor • Draft
2 tasks done
@mmoerchen
8
Add ROHF GDM
#453 opened Apr 21, 2026 by v-boqinzhang Contributor Loading… Release 2.0.0
@v-boqinzhang
77
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