THGLab / SynLlama
The authors are still wrapping up the code space. More updates will come soon!
☆10Updated last week
Alternatives and similar repositories for SynLlama:
Users that are interested in SynLlama are comparing it to the libraries listed below
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆24Updated 6 months ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆20Updated last year
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆24Updated last month
- Augmented Memory and Beam Enumeration implementation☆24Updated 10 months ago
- ☆16Updated 9 months ago
- A package to identify matched molecular pairs and use them to predict property changes.☆24Updated 11 months ago
- ☆29Updated last year
- ☆16Updated 8 months ago
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆15Updated last week
- Contributed and additional nodes for maize☆14Updated last month
- Active learning workflow to train and fine-tune molecular property predictors with chemist feedback for goal-oriented molecule generation…☆14Updated this week
- ☆30Updated 5 months ago
- Building-block and reaction-aware SAScore☆13Updated last month
- Updated version of Silicos-it's shape-based alignment tool☆41Updated last year
- A fragment-based molecular assembly toolkit☆32Updated this week
- Dynamic pharmacophore modeling of molecular interactions☆35Updated last year
- Quick and dirty protonation☆16Updated 2 years ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆37Updated 3 weeks ago
- ☆23Updated 11 months ago
- ☆33Updated 10 months ago
- ☆18Updated 4 months ago
- Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.☆16Updated 3 months ago
- ☆34Updated last year
- ☆22Updated 8 months ago
- Official implementation for paper: A foundation model for protein-ligand affinity prediction through Jointly optimizing virtual screening…☆18Updated last month
- LAST: Latent Space Assisted Adaptive Sampling for Protein Trajectories☆12Updated 2 years ago
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆41Updated 2 months ago
- SMARTS sanitization☆25Updated last month
- ☆11Updated 5 months ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆43Updated 3 years ago