hassanmohsin / DLSCORE-CNNLinks
☆14Updated 5 years ago
Alternatives and similar repositories for DLSCORE-CNN
Users that are interested in DLSCORE-CNN are comparing it to the libraries listed below
Sorting:
- ☆37Updated 4 years ago
- Implementation of the Kdeep Paper☆21Updated 4 years ago
- ☆76Updated 3 years ago
- ☆12Updated 5 years ago
- ☆41Updated 5 years ago
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- Evolutionary algorithm for the optimization of molecular properties.☆59Updated 8 months ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Updated 3 years ago
- ☆17Updated 3 years ago
- Python 3 fork for the preparation scripts contained in AutoDockTools☆20Updated 4 years ago
- ☆49Updated 5 years ago
- Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).☆53Updated 5 years ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆45Updated 4 years ago
- Extended Connectivity Interaction Features☆31Updated 4 years ago
- Predicting or pretending: artificial intelligence for protein-ligand interactions lack of sufficiently large and unbiased datasets☆12Updated 4 years ago
- Molecule Optimization via Fragment-based Generative Models☆43Updated 2 years ago
- ☆14Updated 4 years ago
- ☆39Updated 2 years ago
- Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"☆71Updated 4 years ago
- ☆32Updated 2 years ago
- This is a machine-learning based protein-ligand scoring function.☆53Updated 5 years ago
- pythonic interface to virtual screening software☆91Updated 4 months ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆31Updated 8 months ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Updated 2 years ago
- Energy-based modeling of chemical reactions☆34Updated 3 years ago
- DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…☆48Updated last year
- ☆56Updated last year
- maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.☆34Updated last year
- Icolos: A workflow manager for structure based post-processing of de novo generated small molecules☆56Updated 2 years ago
- Code for memory-assisted reinforcement learning☆23Updated 5 years ago