A Molecular cluster tools built on RDKit
☆11Dec 22, 2016Updated 9 years ago
Alternatives and similar repositories for clusfps
Users that are interested in clusfps are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- K-means clustering☆22Sep 7, 2021Updated 4 years ago
- Annotate Olfactory receptor CDS from genome☆11Apr 29, 2023Updated 3 years ago
- Predicting or pretending: artificial intelligence for protein-ligand interactions lack of sufficiently large and unbiased datasets☆12Feb 21, 2021Updated 5 years ago
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Dec 7, 2021Updated 4 years ago
- References, presentations and other resources☆15Oct 31, 2023Updated 2 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- ☆13Apr 14, 2022Updated 4 years ago
- 嘉立创EDA专业版扩展：基于大模型的符号封装智能建库工具 EasyEDA Pro extension: A intelligent library building assistant by AI☆15Jun 16, 2026Updated last month
- This module includes functions that can be used to simulate mechanochemical phenomena.☆11Nov 16, 2021Updated 4 years ago
- The MolE pre-training framework to learn general molecular representations from unlabeled structures☆12May 26, 2025Updated last year
- AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials☆15Jun 30, 2020Updated 6 years ago
- Inorganic Reaction Prediction☆11Jul 25, 2024Updated last year
- An introduction to machine learning for chemical property prediction☆22Dec 28, 2018Updated 7 years ago
- Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design☆13Oct 2, 2023Updated 2 years ago
- 3D reconstruction of a mouse from a collection of Sinograms coming from a Computed Tomography scan, with Filtered Backprojection and Matl…☆15Aug 15, 2021Updated 4 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Submission for the 2020 Facebook community challenge☆10May 29, 2021Updated 5 years ago
- Examples of applications of pymbar to various problems in simulation and experiment☆24Jan 16, 2015Updated 11 years ago
- A PyTorch implementation of SIN.☆12Oct 20, 2021Updated 4 years ago
- This is the open source repository of my Recursive Neural Network for the BioCreative 6 track5 - chemprot task.☆11Feb 22, 2019Updated 7 years ago
- Using MolE pre-trained representation to predict novel antimicrobial compounds☆12Aug 28, 2025Updated 10 months ago
- ☆11Jun 28, 2019Updated 7 years ago
- The gmx_rrcs script is designed to calculate the residues-residues contact scores (rrcs) from a trajectory file generated by GROMACS.☆18Jun 16, 2025Updated last year
- This code allows is for diversity picking across multiple different, and potentially overlapping chemical compound classes, while at the …☆12Oct 30, 2020Updated 5 years ago
- C4RepSet: Representative Subset from C4 data for Training Pre-trained LMs☆11Jan 13, 2023Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆11Jan 1, 2022Updated 4 years ago
- Interpretable PROTAC degradation prediction with structure-informed deep ternary attention framework☆14Oct 6, 2025Updated 9 months ago
- ☆14Aug 5, 2020Updated 5 years ago
- ☆14Jun 16, 2020Updated 6 years ago
- 30 tutorials in Python to get you from a beginner to advanced☆10Jul 3, 2019Updated 7 years ago
- VMD Plugin and associated scripts to build lignin structures from topological specifications☆17Jul 17, 2025Updated last year
- ☆14Feb 28, 2022Updated 4 years ago
- Matrix factorization and deep learning for molecular property prediction☆13Apr 4, 2019Updated 7 years ago
- Easy-to-use Python bindings for HepMC3☆28Updated this week
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆16Mar 8, 2024Updated 2 years ago
- Code for "On Long-Tailed Phenomena in NMT".☆10Jan 10, 2021Updated 5 years ago
- python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors☆27Jul 22, 2021Updated 5 years ago
- Mixture of Generative Adversarial Networks for Clustering☆16Apr 25, 2018Updated 8 years ago
- Mol-CycleGAN - a generative model for molecular optimization☆76Feb 6, 2019Updated 7 years ago
- ☆24Jul 27, 2022Updated 3 years ago
- Spectral Gap Optimization of Parameters☆18Mar 28, 2020Updated 6 years ago