cbouy / mols2gridLinks
Interactive molecule viewer for 2D structures
☆221Updated last year
Alternatives and similar repositories for mols2grid
Users that are interested in mols2grid are comparing it to the libraries listed below
Sorting:
- add-on to plotly which show molecule images on mouseover!☆253Updated last year
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆189Updated 5 months ago
- ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold netw…☆183Updated 3 years ago
- Scoring of shape and ESP similarity with RDKit☆221Updated 3 months ago
- ChEMBL database structure pipelines☆209Updated 10 months ago
- MoleculeKit: Your favorite molecule manipulation kit☆226Updated 2 weeks ago
- Python for chemoinformatics☆113Updated 4 years ago
- The MinHashed Atom Pair fingerprint of radius 2☆115Updated 2 years ago
- Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer☆149Updated 2 years ago
- Molecule Validation and Standardization☆172Updated 5 years ago
- RDKit related blog posts, notebooks, and data.☆141Updated this week
- active learning for accelerated high-throughput virtual screening☆185Updated last year
- CReM: chemically reasonable mutations framework☆237Updated 3 weeks ago
- scikit-learn classes for molecular vectorization using RDKit☆192Updated last month
- A package to identify matched molecular pairs and use them to predict property changes.☆237Updated last month
- Some useful RDKit functions☆195Updated last week
- Interaction Fingerprints for protein-ligand complexes and more☆425Updated last week
- DeepMol: A Machine and Deep Learning Framework for Computational Chemistry☆156Updated last week
- A script to run structural alerts using the RDKit and ChEMBL☆145Updated last year
- Simple RDKit molecule editor GUI using PySide☆154Updated 6 months ago
- A Python library for structural cheminformatics☆102Updated 2 months ago
- De Novo Drug Design with RNNs and Transformers☆145Updated 7 months ago
- Simple package for fast molecular similarity searches☆137Updated 2 months ago
- Python wrapper for the IBM RXN for Chemistry API☆206Updated last year
- Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations…☆237Updated 2 years ago
- The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy (ABFE) and relative binding free energy (RB…☆204Updated last month
- A python package for chemical space visualization.☆145Updated 6 months ago
- Auto3D generates low-energy conformers from SMILES/SDF☆172Updated last month
- ☆117Updated 2 years ago
- Explainer for black box models that predict molecule properties☆333Updated 2 months ago