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
- ☆12Updated 5 years ago
- ☆14Updated 4 years ago
- ☆76Updated 3 years ago
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 3 years ago
- ☆17Updated 3 years ago
- Molecule Optimization via Fragment-based Generative Models☆43Updated 2 years ago
- Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).☆52Updated 5 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Updated 3 years ago
- Extended Connectivity Interaction Features☆31Updated 4 years ago
- ☆41Updated 5 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
- ☆27Updated 2 years ago
- Predicting or pretending: artificial intelligence for protein-ligand interactions lack of sufficiently large and unbiased datasets☆12Updated 4 years ago
- Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)☆34Updated 10 months ago
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆23Updated last year
- Open source code for DyScore☆20Updated 3 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Updated 2 years ago
- eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.☆50Updated 5 years ago
- ☆49Updated 5 years ago
- ☆26Updated last year
- ☆57Updated last year
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆55Updated 3 years ago
- graph generative model for molecule☆42Updated 6 years ago
- python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors☆27Updated 4 years ago
- This is a machine-learning based protein-ligand scoring function.☆53Updated 5 years ago
- Python 3 fork for the preparation scripts contained in AutoDockTools☆20Updated 4 years ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆32Updated last year