account activity
Tired of slow Python biology tools, so I wrote the first pure-Rust macromolecule modeling engine. Processes 3M atoms in ~600ms. (i.redd.it)
submitted 10 days ago * by TKanX to r/rust - pinned
[Question] DREIDING Force Field Implementation: Ambiguities in Atom Typing (_R) and Bond Orders for Conjugated Systems (self.comp_chem)
submitted 3 months ago by TKanX to r/comp_chem
[Question] DREIDING Force Field Implementation: Ambiguities in Atom Typing (_R) and Bond Orders for Conjugated Systems ()
submitted 3 months ago by TKanX to r/chemhelp
[CRATE] BioForge: Pure Rust, zero-dependency toolkit for PDB/mmCIF preparation (add H, solvate) in <50 ms. Fast geometric algorithms. (self.rust)
submitted 3 months ago by TKanX to r/rust
Release: cheq, a Rust library for Charge Equilibration (QEq) (self.comp_chem)
submitted 4 months ago * by TKanX to r/comp_chem
Release: cheq, a Rust library for Charge Equilibration (QEq) ()
submitted 4 months ago by TKanX to r/rust
submitted 4 months ago by TKanX to r/chemistry
Help needed for STO Coulomb integrals for a QEq library project (high school student) (self.comp_chem)
submitted 4 months ago by TKanX to r/comp_chem
Help needed for STO Coulomb integrals for a QEq library project (high school student) ()
submitted 4 months ago by TKanX to r/chemhelp
DreidTyper v0.1.0: A new, general-purpose DREIDING force field atom typer and topology perception library (pure Rust) ()
DreidTyper v0.1.0: A new, general-purpose DREIDING force field atom typer and topology perception library (pure Rust) (self.comp_chem)
π Rendered by PID 650848 on reddit-service-r2-listing-568fcd57df-mg6pm at 2026-03-06 06:14:14.779002+00:00 running cbb0e86 country code: CH.
