Search alternatives:
algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
python function » protein function (Expand Search)
algorithm i » algorithm ai (Expand Search), algorithm _ (Expand Search), algorithm b (Expand Search)
i function » _ function (Expand Search), a function (Expand Search), link function (Expand Search)
algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
python function » protein function (Expand Search)
algorithm i » algorithm ai (Expand Search), algorithm _ (Expand Search), algorithm b (Expand Search)
i function » _ function (Expand Search), a function (Expand Search), link function (Expand Search)
-
1
EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit
Published 2025“…For a RDKit molecule, it provides (i) a PNG binary string with an image of the molecule with color-highlighted functional groups; (ii) a list of sets of atom indices (idx), each set corresponding to a functional group; (iii) a list of pseudo-SMILES canonicalized strings for the full functional groups; and (iv) a list of RDKit labeled mol objects, one for each full functional group. …”
-
2
-
3
Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results
Published 2025“…This algorithm conducts a series of procedures: (1) fragmentation of the molecules into functional groups from SMILES, (2) calculation of activity coefficients under predetermined temperature and mole fraction conditions by employing universal quasi-chemical functional group activity coefficient (UNIFAC) model, and (3) regression of NRTL model parameters by employing UNIFAC model simulation results in the differential evolution algorithm (DEA) and Nelder–Mead method (NMM). …”
-
4
<b>Opti2Phase</b>: Python scripts for two-stage focal reducer
Published 2025“…</li></ul><p dir="ltr">The scripts rely on the following Python packages. Where available, repository links are provided:</p><ol><li><b>NumPy</b>, version 1.22.1</li><li><b>SciPy</b>, version 1.7.3</li><li><b>PyGAD</b>, version 3.0.1 — https://pygad.readthedocs.io/en/latest/#</li><li><b>bees-algorithm</b>, version 1.0.2 — https://pypi.org/project/bees-algorithm</li><li><b>KrakenOS</b>, version 1.0.0.19 — https://github.com/Garchupiter/Kraken-Optical-Simulator</li><li><b>matplotlib</b>, version 3.5.2</li></ol><p dir="ltr">All scripts are modular and organized to reflect the design stages described in the manuscript.…”
-
5
-
6
-
7
-
8
-
9
Dataset of networks used in assessing the Troika algorithm for clique partitioning and community detection
Published 2025“…Each network is provided in .gml format or .pkl format which can be read into a networkX graph object using standard functions from the networkX library in Python. For accessing other networks used in the study, please refer to the article for references to the primary sources of those network data.…”
-
10
-
11
List of Abbreviations
Published 2025“…For advanced users, it facilitates the seamless integration of custom functionalities and novel algorithms with minimal coding, ensuring adaptability at each design stage. …”
-
12
The results of ICA performed using PyNoetic.
Published 2025“…For advanced users, it facilitates the seamless integration of custom functionalities and novel algorithms with minimal coding, ensuring adaptability at each design stage. …”
-
13
-
14
-
15
-
16
-
17
GridScopeRodents: High-Resolution Global Typical Rodents Distribution Projections from 2021 to 2100 under Diverse SSP-RCP Scenarios
Published 2025“…For example, <i>Akodon_ACCESS-CM2_2021–2040_ssp126_avg.tif</i> represents the average projected occurrence probability for <i>Akodon</i> under the SSP1–RCP2.6 scenario and the ACCESS-CM2 global climate model during 2021–2040 over 25 replicate runs. …”
-
18
S1 Graphical abstract -
Published 2025“…<div><p>Engineered heart tissues (EHTs) have shown great potential in recapitulating tissue organization, functions, and cell-cell interactions of the human heart <i>in vitro</i>. …”
-
19
-
20