zinph / CheminformaticsLinks
All the handy little scripts for cheminformatics related projects
☆34Updated 2 years ago
Alternatives and similar repositories for Cheminformatics
Users that are interested in Cheminformatics are comparing it to the libraries listed below
Sorting:
- ☆42Updated 3 years ago
- Retrosynthetic prediction with Atom Environments☆37Updated 2 years ago
- The graph-convolutional neural network for pka prediction☆82Updated last year
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆32Updated 2 months ago
- eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.☆49Updated 4 years ago
- ☆56Updated 2 years ago
- ☆28Updated last year
- ☆25Updated 5 years ago
- Molecular SMILE generation with recurrent neural networks☆20Updated last month
- ☆27Updated 2 years ago
- ☆76Updated 2 years ago
- Ligand bioactivity prediction☆58Updated last year
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆56Updated 3 years ago
- ☆20Updated 2 years ago
- ☆16Updated 3 years ago
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆73Updated last year
- ☆55Updated last year
- ☆17Updated 2 years ago
- Platforms to predict reactivity for substitution reactions.☆20Updated 4 years ago
- 3D ligand-based pharmacophore modeling☆50Updated 3 months ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆46Updated 2 years ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆44Updated 3 years ago
- MGA☆44Updated 4 years ago
- Smash molecule and obtain significant fragments☆18Updated 4 years ago
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆61Updated last year
- Open-source tool for synthons-based library design.☆81Updated 7 months ago
- graph generative model for molecule☆39Updated 5 years ago
- Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)☆20Updated 4 months ago
- Advancing Molecular Machine (Learned) Representations with Stereoelectronics-Infused Molecular Graphs☆29Updated last week
- ☆30Updated last year