Multi-stage Riemannian flow matching for physically valid molecular docking, with GNINA scoring, PoseBusters filtering, CLI inference, and benchmarks.
- alphafold3
- docking
- drug-design
- drug-discovery
Repository Index
47,133 repositories indexed
25–33 of 33 · Most stars
CancerFoundation: A single-cell RNA sequencing foundation model to decipher drug resistance in cancer
- cancer
- foundation-model
- single-cell
Decimal handling as value object instead of plain strings or floats.
ODE system solver made simple. For IVPs (initial value problems).
- runge-kutta-fehlberg
- runge-kutta
- simulation
- ode-solver
Open source ballistics library
- vala
- ballistics
- meson
- gplv3
An Elixir library for parsing and evaluating mathematical expressions
vala and scientific numerical computation
Utility library to pretty print physical values in proper metric units
- ada2012
- ada
- utility-library
- formatting-output
This is a class module in beta state to implement computations with large integers and reals/rationals numbers, while proposing representation of numerical values as scientific notation, allowing to obtain several cohorts for the same number (a lot of fun!).
- arithmetic
- biginteger
- biginteger-library
- fractional