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Comparison · Infra & APIs
fastpos vs volcalc
A side-by-side editorial comparison of fastpos and volcalc — release velocity, themes, recent moves, and the top alternatives to consider.
fastpos vs volcalc: at a glance
What is fastpos?
Dormant three years, then a two-line release nobody using it would notice
fastpos finds the critical point of stability for a Pearson correlation, a simulation problem whose C++ implementation is the entire reason the package exists. Its substantive work concluded in 2022 with 0.5.0, the release prepared during R Journal review, which renamed the precision parameters, moved multicore work to pbapply and let users set corridor limits directly. After three years of silence, 0.6.0 removes an internal restriction to cpp11 and changes index_pop to an integer.
What is volcalc?
Rebuilt itself around SMILES and .mol input, then made the chemistry configurable
volcalc estimates the volatility of chemical compounds from their structure, implementing the SIMPOL.1 group-contribution method and the Meredith et al. variant. Version 2.0.0 severed the package from KEGG: calc_vol() takes .mol file paths or SMILES strings directly, is vectorized over multiple compounds, and the group-contribution maths was split into its own simpol1() function. Work since has been chemistry accuracy and configurability — the full set of SIMPOL.1 functional groups, volatility thresholds for clean atmosphere, polluted atmosphere or soil, user-supplied temperature, and a validate option returning NA when structure parsing looks suspect.
fastpos vs volcalc: editorial side-by-side
fastpos
0.0INFRA · APIS
Dormant three years, then a two-line release nobody using it would notice
◆ Current state
fastpos finds the critical point of stability for a Pearson correlation, a simulation problem whose C++ implementation is the entire reason the package exists. Its substantive work concluded in 2022 with 0.5.0, the release prepared during R Journal review, which renamed the precision parameters, moved multicore work to pbapply and let users set corridor limits directly. After three years of silence, 0.6.0 removes an internal restriction to cpp11 and changes index_pop to an integer.
◆ Where it's heading
This is a finished piece of research software in low-effort upkeep. The changelog's centre of gravity is the R Journal review process, and once that concluded the package stopped changing. The single release since is toolchain work of the kind that keeps a package compiling rather than anything a user would see.
◆ Prediction
Expect nothing beyond occasional compilation or CRAN-check fixes unless the accompanying paper draws requests for other correlation types or resampling schemes.
volcalc
0.0INFRA · APIS
Rebuilt itself around SMILES and .mol input, then made the chemistry configurable
◆ Current state
volcalc estimates the volatility of chemical compounds from their structure, implementing the SIMPOL.1 group-contribution method and the Meredith et al. variant. Version 2.0.0 severed the package from KEGG: calc_vol() takes .mol file paths or SMILES strings directly, is vectorized over multiple compounds, and the group-contribution maths was split into its own simpol1() function. Work since has been chemistry accuracy and configurability — the full set of SIMPOL.1 functional groups, volatility thresholds for clean atmosphere, polluted atmosphere or soil, user-supplied temperature, and a validate option returning NA when structure parsing looks suspect.
◆ Where it's heading
The arc runs from a script tied to one database toward a general structure-to-volatility tool. Dropping KEGG from the core in 2.0.0, then removing KEGGREST as a dependency entirely in 2.2.0, took the package from volatility for KEGG compounds to volatility for any structure a user can supply. The accompanying manuscript published in 2023, and the changelog since has been careful about coefficient double-counting — amines and amides have each been corrected — which suggests the group definitions are the part under active scrutiny.
◆ Prediction
The smarts_simpol1 dataset added in 2.2.0 documents how functional groups are defined, pointing toward further estimation methods alongside SIMPOL.1 and Meredith; splitting simpol1() out in 2.0.0 was stated to be groundwork for exactly that.
Alternatives to fastpos and volcalc
Other Infra & APIs 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 fastpos or volcalc.
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Okta
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See all fastpos alternatives → · See all volcalc alternatives →
Recent activity from fastpos and volcalc
Latest ship moves from both products, interleaved chronologically. ⚡ = editorial spark.
- 10mo agofastposcpp11 restriction removed; index_pop now an integer
- 1y agovolcalcParsing validation, user-supplied temperature, KEGGREST dropped
- 2y agovolcalcAuthorship and citation updates
- 2y agovolcalcSMILES input, environment-specific thresholds, missing functional groups
- 2y agovolcalcRebuilt around .mol and SMILES input; SIMPOL.1 split into simpol1() ⚡
- 3y agovolcalcAmines group removed to stop double-counting with primary amines
- 3y agovolcalcbug fix: standard temperature
- 4y agofastposMulticore fix for pbmcapply; Windows limited to one core
- 4y agofastposR Journal review release: renamed precision parameters, manual corridor limits
- 5y agofastposMore informative test failures; interactive-only progress bars
- 6y agofastposMulticore support via the future package
- 6y agofastposExact-rho population generation and C++ progress bar fixes
Frequently asked questions
What is the difference between fastpos and volcalc?
They serve adjacent needs but don't currently overlap on shipped themes. fastpos and volcalc are shipping at a similar cadence (velocity 0.0 vs 0.0, 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 fastpos better than volcalc?
Sparkpulse doesn't pick a winner — we score release velocity, not feature parity. fastpos and volcalc are shipping at a similar cadence (velocity 0.0 vs 0.0, both within Sparkpulse's "active" band). For your specific use case, the alternatives sections above list other Infra & APIs products to evaluate alongside.
What are the best alternatives to fastpos?
Top fastpos alternatives in Infra & APIs are ranked by recent ship velocity. Browse the "fastpos alternatives" section above for the current picks, or visit /alternatives/fastpos for the full list with editorial commentary on each.
What are the best alternatives to volcalc?
Top volcalc alternatives in Infra & APIs are ranked by recent ship velocity. Browse the "volcalc alternatives" section above for the current picks, or visit /alternatives/volcalc for the full list with editorial commentary on each.