moltools / CineMolLinks
Direct-to-SVG small molecule drawer.
☆27Updated 6 months ago
Alternatives and similar repositories for CineMol
Users that are interested in CineMol are comparing it to the libraries listed below
Sorting:
- ☆22Updated 2 years ago
- Cloud-based Drug Binding Structure Prediction☆38Updated 5 months ago
- A Python program for QM/MM Simulations based on the Perturbed Matrix Method☆26Updated last year
- Computational Chemistry Workflows☆54Updated 3 years ago
- A repo for analysis of ensembles of protein-ligand complexes☆30Updated 6 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 3 months ago
- Fully automated high-throughput MD pipeline☆67Updated last week
- Fully automated docking pipeline (can be run in distributed environments)☆47Updated this week
- Scaffold decoration and fragment linking with chemical language models and RL☆26Updated 5 months ago
- cime public repository☆33Updated 2 years ago
- ☆18Updated 3 years ago
- ☆28Updated 3 months ago
- Molecular Library Toolbox☆59Updated this week
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆60Updated 2 weeks ago
- Updated version of Silicos-it's shape-based alignment tool☆43Updated last year
- A fragment-based molecular assembly toolkit☆38Updated 3 weeks ago
- Going through a setting up a basic cheminformatics pipeline for the target EGFR☆19Updated 4 months ago
- ☆34Updated last year
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆44Updated 3 years ago
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated last year
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆53Updated 2 months ago
- ☆28Updated last year
- PyL3dMD: Python LAMMPS 3D Molecular Descriptors Package☆31Updated last year
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆26Updated this week
- Code to accompany "Practical Cheminformatics With Open Source Software"☆16Updated 3 years ago
- ☆40Updated 2 years ago
- Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility☆39Updated 4 years ago
- Synthetic Bayesian Classification☆45Updated 4 years ago