THGLab / SynLlamaLinks
Code Space of SynLlama
☆26Updated 3 months ago
Alternatives and similar repositories for SynLlama
Users that are interested in SynLlama are comparing it to the libraries listed below
Sorting:
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆22Updated last year
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆40Updated 3 months ago
- ☆17Updated last year
- ☆27Updated last year
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆37Updated last week
- ☆51Updated 4 months ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆27Updated last month
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆47Updated 8 months ago
- Python-based GUI to collect Feedback of Chemist in Molecules☆52Updated 11 months ago
- ☆40Updated 6 months ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆30Updated 4 months ago
- ☆35Updated last year
- Augmented Memory and Beam Enumeration implementation☆25Updated last year
- ☆26Updated 2 years ago
- Diffusion-based molecule conformer generation☆42Updated last year
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆56Updated this week
- Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson (https…☆16Updated last year
- Scaffold decoration and fragment linking with chemical language models and RL☆26Updated 6 months ago
- ☆27Updated 2 years ago
- ☆17Updated 7 months ago
- ☆17Updated 4 months ago
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆28Updated 11 months ago
- Tool to predict water molecules placement and energy in ligand binding sites☆28Updated 3 weeks ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆28Updated 6 months ago
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆24Updated 2 years ago
- ☆23Updated last week
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆22Updated last month
- Use AutoDock for Ligand-based Virtual Screening☆23Updated last year
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated last year
- ML-guided visual inspection for molecular docking☆20Updated 4 months ago