moltools / CineMolLinks
Direct-to-SVG small molecule drawer.
☆27Updated 9 months ago
Alternatives and similar repositories for CineMol
Users that are interested in CineMol are comparing it to the libraries listed below
Sorting:
- ☆18Updated 4 years ago
- Fully automated docking pipeline (can be run in distributed environments)☆53Updated 2 weeks ago
- A Python program for QM/MM Simulations based on the Perturbed Matrix Method☆26Updated 2 years ago
- Computational Chemistry Workflows☆56Updated 3 years ago
- MOlecule fRagmenTAtion fRamework☆27Updated 2 weeks ago
- ☆28Updated 6 months ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆25Updated 2 years ago
- Cloud-based Drug Binding Structure Prediction☆42Updated last week
- ☆22Updated 2 years ago
- BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries☆89Updated this week
- A repo for analysis of ensembles of protein-ligand complexes☆30Updated 9 months ago
- Fully automated high-throughput MD pipeline☆84Updated 2 months ago
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆38Updated 2 weeks ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆28Updated 2 months ago
- Molecular Library Toolbox☆61Updated last month
- Weighted Ensemble Data Analysis and Plotting☆24Updated 5 months ago
- Molecular Annotation and Recognition for Curating Unravelled Structures☆18Updated last month
- Free Parametrization for Small Molecules☆48Updated last month
- Toolkit for large scale ADMET modelling☆19Updated last week
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 5 months ago
- ☆40Updated 2 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆33Updated 2 years ago
- ☆35Updated last year
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Updated 7 months ago
- WaterDock-2.0 implementation with Akshay Sridhar☆17Updated 2 years ago
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆61Updated 2 months ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆45Updated 3 years ago
- KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.☆31Updated 2 weeks ago
- Protein-Ligand Interaction Fingerprints☆21Updated 4 years ago
- PyL3dMD: Python LAMMPS 3D Molecular Descriptors Package☆31Updated last year