FelixOpolka / pnerf-pytorchLinks
π PyTorch implementation of the Parallelized Natural Extension Reference Frame algorithm
β19Updated 6 years ago
Alternatives and similar repositories for pnerf-pytorch
Users that are interested in pnerf-pytorch are comparing it to the libraries listed below
Sorting:
- β36Updated 6 years ago
- Massively-Parallel Natural Extension of Reference Frameβ32Updated 2 years ago
- Differentiable molecular simulation of proteins with a coarse-grained potentialβ56Updated 4 months ago
- Learning protein structure with a differentiable simulatorβ27Updated 6 years ago
- An efficient method for the conversion from internal to Cartesian coordinates that utilizes the platform-agnostic JAX Python library.β17Updated last year
- PyTorch library of layers acting on protein representationsβ119Updated last year
- Autoregressive networks for proteinβ38Updated 5 months ago
- Deep convolutional networks for fold recognitionβ22Updated 5 years ago
- TMolβ39Updated this week
- Bayesian Optimization with Pretrained Protein Sequence Modelsβ56Updated last year
- PDNET: A fully open-source framework for deep learning protein real-valued distancesβ36Updated 4 years ago
- The GB99dms implicit solvent force field for proteins, plus scripts and dataβ23Updated 2 months ago
- Integrating Molecular Simulation and Experimental Dataβ24Updated 3 years ago
- Codebase for Cormorant Neural Networksβ60Updated 3 years ago
- A modular framework for neural networks with Euclidean symmetryβ11Updated last year
- An implementation of Boltzmann generators using pytorch.β11Updated 5 years ago
- UCBShift is a program for predicting chemical shifts for backbone atoms and Ξ²-carbon of a protein in solution. It utilizes a machine learβ¦β21Updated 2 months ago
- Official repository for discrete Walk-Jump Sampling (dWJS)β53Updated last year
- Normal Mode Analysis for Macromoleculesβ18Updated 8 years ago
- Benchmark for Biophysical Sequence Optimization Algorithmsβ20Updated 2 months ago
- β89Updated 3 years ago
- MaxEnt code for fitting simulation outcomes/statistical models to observationsβ16Updated 3 years ago
- A Deep Learning based protein flexibility prediction tool.β9Updated 2 years ago
- Reinforcement learning environments for drug discoveryβ18Updated 11 months ago
- Python Bioinformatics Toolkit for CATH (Protein Classification Database @ UCL)β14Updated 10 months ago
- Reimplementation of the UniRep protein featurization model.β107Updated 11 months ago
- Pseudo Likelihood Maximization for protein in Juliaβ51Updated 2 months ago
- Differentiate all the things!β157Updated 3 weeks ago
- β63Updated 6 years ago
- Adding hydrogens to molecular modelsβ47Updated 9 months ago