THGLab / SynLlamaLinks
Code Space of SynLlama
☆43Updated last month
Alternatives and similar repositories for SynLlama
Users that are interested in SynLlama are comparing it to the libraries listed below
Sorting:
- Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …☆28Updated last year
- ☆41Updated 10 months ago
- ☆17Updated 2 years ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆46Updated 2 weeks ago
- ☆54Updated 9 months ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆31Updated 10 months ago
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆39Updated 3 months ago
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆67Updated 3 months ago
- Augmented Memory and Beam Enumeration implementation☆25Updated last year
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆27Updated 2 months ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆26Updated 2 years ago
- Official implementation of RuSH (Scaffold Hopping with Generative Reinforcement Learning). Includes ScaffoldFinder algorithm for 2D decor…☆20Updated 11 months ago
- Python-based GUI to collect Feedback of Chemist in Molecules☆53Updated last year
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆29Updated last year
- ☆39Updated 2 years ago
- ☆18Updated last year
- ☆35Updated last year
- ☆49Updated 5 years ago
- ☆39Updated last year
- ☆22Updated 2 years ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆33Updated last week
- An open library to work with pharmacophores.☆49Updated 2 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆28Updated last week
- Updated version of Silicos-it's shape-based alignment tool☆47Updated 4 months ago
- ☆26Updated 3 years ago
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆51Updated 3 months ago
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆19Updated last year
- ☆20Updated 8 months ago
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆66Updated last year
- ☆28Updated 2 years ago