Repositories

rdk Repositories

119 unterstützte Repositories

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rdk/3D-geometric-deep-learning-in-drugs

3D-geometric-deep-learning-in-drugs

Letzter Commit 14. März 2023

 (3 Stars) (0 Forks) (0 indexierte Issues) (0 offene good first issues)
rdk/AF2RankPython

Letzter Commit 2. Apr. 2022

 (0 Stars) (0 Forks) (0 indexierte Issues) (0 offene good first issues)
rdk/AHoJ-project

:wave: Webserver & command-line tool for search of APO (unbound) protein structures from HOLO (bound) forms and vice versa.

Letzter Commit 3. Nov. 2022

 (2 Stars) (0 Forks) (0 indexierte Issues) (0 offene good first issues)
rdk/Awesome-Bioinformatics

A curated list of awesome Bioinformatics libraries and software.

Letzter Commit 11. Jan. 2022

 (2 Stars) (0 Forks) (0 indexierte Issues) (0 offene good first issues)
rdk/BayesianOptimizationPython

A Python implementation of global optimization with gaussian processes.

Letzter Commit 28. Feb. 2017

 (0 Stars) (0 Forks) (0 indexierte Issues) (0 offene good first issues)
rdk/Cloud-BindJupyter Notebook

Cloud-based Drug Binding Structure Prediction

Letzter Commit 16. Dez. 2023

 (0 Stars) (0 Forks) (0 indexierte Issues) (0 offene good first issues)
rdk/Creality-Helper-Script-Wiki

Wiki for Creality Helper Script

Letzter Commit 12. Juli 2024

 (0 Stars) (0 Forks) (0 indexierte Issues) (0 offene good first issues)
rdk/DFMDockJupyter Notebook

DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.

Letzter Commit 2. Okt. 2024

 (0 Stars) (1 Fork) (0 indexierte Issues) (0 offene good first issues)
rdk/DeeplyToughPython

Letzter Commit 28. Aug. 2019

 (0 Stars) (0 Forks) (0 indexierte Issues) (0 offene good first issues)
rdk/DiffDock-PPPython

Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)

Letzter Commit 30. Apr. 2023

 (0 Stars) (0 Forks) (0 indexierte Issues) (0 offene good first issues)
rdk/DiffLinkerPython

DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design

Letzter Commit 15. Jan. 2024

 (0 Stars) (0 Forks) (0 indexierte Issues) (0 offene good first issues)
rdk/DoGSite3-Datasets

Here, we provide all datasets used for DoGSite binding site prediction performance analyses.

Letzter Commit 15. Juni 2023

 (0 Stars) (0 Forks) (0 indexierte Issues) (0 offene good first issues)
rdk/FastRandomForestJava

A fast implementation of the Random Forest algorithm for the Weka environment

Letzter Commit 10. Sept. 2017

 (1 Star) (0 Forks) (0 indexierte Issues) (0 offene good first issues)
rdk/FasterForestJava

Fast Random Forests implementatios for Java.

Letzter Commit 3. Juni 2026

 (0 Stars) (1 Fork) (0 indexierte Issues) (0 offene good first issues)
rdk/FasterMolecularSurfaceJava

Java library with optimized implementation of NumericalSurfece from CDK

Letzter Commit 5. Juni 2026

 (0 Stars) (0 Forks) (0 indexierte Issues) (0 offene good first issues)
rdk/FlowDockPython

A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)

Letzter Commit 7. Apr. 2025

 (0 Stars) (0 Forks) (0 indexierte Issues) (0 offene good first issues)
rdk/GrASPPython

Letzter Commit 28. Juli 2023

 (1 Star) (0 Forks) (0 indexierte Issues) (0 offene good first issues)
rdk/HRMPython

Hierarchical Reasoning Model Official Release

Letzter Commit 3. Aug. 2025

 (0 Stars) (0 Forks) (0 indexierte Issues) (0 offene good first issues)
rdk/InsightManagerGroovy

A simplified wrapper for the Insight Java API

Letzter Commit 24. Feb. 2021

 (0 Stars) (0 Forks) (0 indexierte Issues) (0 offene good first issues)
rdk/JDTJava

Java Delaunay Triangulation

Letzter Commit 18. Mai 2012

 (0 Stars) (0 Forks) (0 indexierte Issues) (0 offene good first issues)