tidyr
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Comparison · Analytics
PySCF vs silx
A side-by-side editorial comparison of PySCF and silx — release velocity, themes, recent moves, and the top alternatives to consider.
PySCF vs silx: at a glance
What is PySCF?
Quantum chemistry package adding whole method families every release.
PySCF is a Python-based quantum chemistry toolkit, and its release cadence is unusually feature-dense: each version lands multiple new electronic-structure methods rather than polishing existing ones. Recent releases have built out the GW/BSE excited-state stack, k-point RPA for periodic systems, higher-order coupled cluster, and multi-state PDFT with analytical gradients. Platform work runs alongside — Windows DLL compatibility, GPU4PySCF interfacing, and configurable einsum backends.
What is silx?
silx 3.0 moved its default Qt binding to PySide6 — a migration for everyone embedding it.
silx releases a couple of times a year and reached 3.0.0 in April 2026, which raised the Python floor to 3.10 and switched the default Qt binding to PySide6. The same release reworked the viewer's data views: 3D scatter support, dedicated RGB(A) image views, the composite ImageView split into Plot2dView and ComplexImageView, and NXdata stacks displayed as images. 3.1.0 has since added asinh axis scaling, the twilight colormaps, and dark-theme icons.
PySCF vs silx: editorial side-by-side
PySCF
2.5ANALYTICS
Quantum chemistry package adding whole method families every release.
◆ Current state
PySCF is a Python-based quantum chemistry toolkit, and its release cadence is unusually feature-dense: each version lands multiple new electronic-structure methods rather than polishing existing ones. Recent releases have built out the GW/BSE excited-state stack, k-point RPA for periodic systems, higher-order coupled cluster, and multi-state PDFT with analytical gradients. Platform work runs alongside — Windows DLL compatibility, GPU4PySCF interfacing, and configurable einsum backends.
◆ Where it's heading
Two arcs are visible. The methods arc is pushing toward periodic (PBC) parity with molecular calculations — PBC GW, PBC RPA, SOC-ECP for PBC DFT, QM/MM for periodic systems all landed in this window. The infrastructure arc is about getting PySCF to run where it previously did not: Windows, GPUs, alternative tensor-contraction backends.
◆ Prediction
The PBC catch-up should continue, since each release closes another gap between molecular and periodic implementations of the same method; the entries do not indicate which gap is next.
silx
2.5ANALYTICS
silx 3.0 moved its default Qt binding to PySide6 — a migration for everyone embedding it.
◆ Current state
silx releases a couple of times a year and reached 3.0.0 in April 2026, which raised the Python floor to 3.10 and switched the default Qt binding to PySide6. The same release reworked the viewer's data views: 3D scatter support, dedicated RGB(A) image views, the composite ImageView split into Plot2dView and ComplexImageView, and NXdata stacks displayed as images. 3.1.0 has since added asinh axis scaling, the twilight colormaps, and dark-theme icons.
◆ Where it's heading
The project is doing a generational refresh of its GUI layer: modern Qt binding, modules broken out of the composite widgets that had accumulated responsibilities, and the theming work that a desktop application needs to look current. Underneath, the recurring fixes are about HDF5 behavior in real facility environments — file locking, NFS refresh, Windows display paths — which is where a synchrotron toolkit actually gets stressed. Feature growth is concentrated in silx view rather than the library API.
◆ Prediction
Expect the 3.1.x line to keep filling in plotting options and theming, with the PySide6 default flushing out binding-specific bugs from downstream applications over the next few releases.
Alternatives to PySCF and silx
Other Analytics products tracked by Sparkpulse, ranked by recent ship velocity. Each card links to a full editorial trajectory and lets you pivot into a head-to-head comparison with either PySCF or silx.
modeltime
modeltime built conformal intervals in, then went quiet on features.
performance
performance keeps adding ways to check a model you have already fitted.
cmdstanpy
CmdStanPy is clearing deprecations ahead of a 2.0 it keeps announcing.
dowhy
DoWhy adds one estimation method a year and keeps its identification edge.
OpenHouse
OpenHouse is hardening the seams where table policies and jobs quietly fail.
Recent activity from PySCF and silx
Latest ship moves from both products, interleaved chronologically. ⚡ = editorial spark.
- 2d agosilx3.1.0: asinh axis scaling, twilight colormaps, dark-theme icons
- 24d agoPySCFBethe-Salpeter equation, k-point RPA, and Windows compatibility
- 2mo agoPySCFPatch release: missing CP2K basis data in wheels, ECP loading fallback
- 3mo agosilx3.0.1: 2026/05/07
- 3mo agosilx3.0.0: PySide6 becomes the default Qt binding, Python 3.10 required ⚡
- 3mo agosilx3.0.0rc1: release candidate for the PySide6 migration
- 3mo agoPySCFASE band structure interface, SOC-ECP for periodic DFT, PCM surface discretization
- 6mo agoPySCFNumPy 2.4 compatibility fix and smearing convergence tweak
- 6mo agoPySCFHigh-performance CCSDT/CCSDTQ, density-fitted NEVPT2, configurable einsum backend
- 9mo agoPySCFMulti-state PDFT family lands with analytical gradients and QM/MM for periodic systems
- 1y agosilx2.2.2: 2025/04/07
- 1y agosilx2.2.0b0: HSDS URL support and a multi-curve comparison window
Frequently asked questions
What is the difference between PySCF and silx?
They serve adjacent needs but don't currently overlap on shipped themes. PySCF and silx are shipping at a similar cadence (velocity 2.5 vs 2.5, both within Sparkpulse's "active" band). See the at-a-glance table above for a side-by-side breakdown of velocity, recent sparks, and editorial themes.
Is PySCF better than silx?
Sparkpulse doesn't pick a winner — we score release velocity, not feature parity. PySCF and silx are shipping at a similar cadence (velocity 2.5 vs 2.5, both within Sparkpulse's "active" band). For your specific use case, the alternatives sections above list other Analytics products to evaluate alongside.
What are the best alternatives to PySCF?
Top PySCF alternatives in Analytics are ranked by recent ship velocity. Browse the "PySCF alternatives" section above for the current picks, or visit /alternatives/pyscf for the full list with editorial commentary on each.
What are the best alternatives to silx?
Top silx alternatives in Analytics are ranked by recent ship velocity. Browse the "silx alternatives" section above for the current picks, or visit /alternatives/silx for the full list with editorial commentary on each.