tidyr
tidyr replaced separate() with a family that says what it does.
Comparison · Analytics
modeltime vs PySCF
A side-by-side editorial comparison of modeltime and PySCF — release velocity, themes, recent moves, and the top alternatives to consider.
modeltime vs PySCF: at a glance
What is modeltime?
modeltime built conformal intervals in, then went quiet on features.
modeltime is at 1.3.3, a single change making the package robust to xgboost version shifts. The feature weight sits in 1.3.2, which added a future-based parallel backend, the maape() accuracy metric and dials helpers for ADAM engine tuning, and further back in the 1.2.8 and 1.3.0 pair that introduced conformal prediction intervals and then carried them through the nested forecasting workflow.
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.
modeltime vs PySCF: editorial side-by-side
modeltime
0.0ANALYTICS
modeltime built conformal intervals in, then went quiet on features.
◆ Current state
modeltime is at 1.3.3, a single change making the package robust to xgboost version shifts. The feature weight sits in 1.3.2, which added a future-based parallel backend, the maape() accuracy metric and dials helpers for ADAM engine tuning, and further back in the 1.2.8 and 1.3.0 pair that introduced conformal prediction intervals and then carried them through the nested forecasting workflow.
◆ Where it's heading
The arc runs from uncertainty quantification to execution. Conformal intervals arrived first and were then threaded through nested fitting, refitting and the printed forecast tables so users can see which confidence method produced an interval. The later work moves down a layer to how forecasts are computed — a portable future backend replacing foreach tuning — rather than what they express.
◆ Prediction
With only an xgboost compatibility fix since the 1.3.2 feature release, the entries do not support a confident prediction about what comes next beyond continued dependency maintenance.
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.
Alternatives to modeltime and PySCF
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 modeltime or PySCF.
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.
silx
silx 3.0 moved its default Qt binding to PySide6 — a migration for everyone embedding it.
See all modeltime alternatives → · See all PySCF alternatives →
Recent activity from modeltime and PySCF
Latest ship moves from both products, interleaved chronologically. ⚡ = editorial spark.
- 24d agoPySCFBethe-Salpeter equation, k-point RPA, and Windows compatibility
- 2mo agoPySCFPatch release: missing CP2K basis data in wheels, ECP loading fallback
- 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
- 7mo agomodeltimeRobustness to xgboost version changes
- 9mo agoPySCFMulti-state PDFT family lands with analytical gradients and QM/MM for periodic systems
- 11mo agomodeltimefuture parallel backend, maape() metric and ADAM tuning helpers
- 2y agomodeltimeConformal intervals reach the nested forecasting workflow
- 2y agomodeltimeConformal prediction intervals introduced
- 3y agomodeltimeFixes the Smooth es() model
- 3y agomodeltimeFixes failing developer-tools tests
Frequently asked questions
What is the difference between modeltime and PySCF?
They serve adjacent needs but don't currently overlap on shipped themes. PySCF is currently shipping more aggressively (velocity 2.5 vs 0.0), with 0 editorial sparks in the last 30 days against 0. See the at-a-glance table above for a side-by-side breakdown of velocity, recent sparks, and editorial themes.
Is modeltime better than PySCF?
Sparkpulse doesn't pick a winner — we score release velocity, not feature parity. PySCF is currently shipping more aggressively (velocity 2.5 vs 0.0), with 0 editorial sparks in the last 30 days against 0. For your specific use case, the alternatives sections above list other Analytics products to evaluate alongside.
What are the best alternatives to modeltime?
Top modeltime alternatives in Analytics are ranked by recent ship velocity. Browse the "modeltime alternatives" section above for the current picks, or visit /alternatives/modeltime for the full list with editorial commentary on each.
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.